Halogenated Heterocycles
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4-(Dimethoxymethyl)-5-(trifluoromethyl)-1h-pyrrolo[2,3-b]pyridineCas#: 1261365-40-5 Compound CID: 50989167Formula: C11H11F3N2O2 Molecular Weight: 260.2IUPAC Name: 4-(dimethoxymethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridineSMILES: COC(C1=C2C=CNC2=NC=C1C(F)(F)F)OCInChIKey: WJIYSKYEYSCWQE-UHFFFAOYSA-NInChI: InChI=1S/C11H11F3N2O2/c1-17-10(18-2)8-6-3-4-15-9(6)16-5-7(8)11(12,13)14/h3-5,10H,1-2H3,(H,15,16)Synonyms: CS-0091226 | DTXSID30679107 | AKOS015851522 | D75054 | 1261365-40-5 | 4-(Dimethoxymethyl)-5-(trifluoromethyl)-1H-pyrr...
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Lithium 3-fluoropyridine-2-carboxylateCas#: 603310-20-9 Compound CID: 23666762Formula: C6H3FLiNO2 Molecular Weight: 147.03IUPAC Name: lithium;3-fluoropyridine-2-carboxylateSMILES: [Li+].C1=CC(=C(N=C1)C(=O)[O-])FInChIKey: POYLONJDIWUFHZ-UHFFFAOYSA-MInChI: InChI=1S/C6H4FNO2.Li/c7-4-2-1-3-8-5(4)6(9)10;/h1-3H,(H,9,10);/q;+1/p-1Synonyms: 2-Pyridinecarboxylic acid, 3-fluoro-, lithium salt | Lithium3-fluoropicolinate | SCHEMBL1461586 | LITHIUM(1+) 3-FLUOR...
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4-(Trifluoromethylsulfonyl)phenylacetic acidCas#: 1099597-82-6 Compound CID: 40427164Formula: C9H7F3O4S Molecular Weight: 268.21IUPAC Name: 2-[4-(trifluoromethylsulfonyl)phenyl]acetic acidSMILES: C1=CC(=CC=C1CC(=O)O)S(=O)(=O)C(F)(F)FInChIKey: FIEUCHICQSJBAU-UHFFFAOYSA-NInChI: InChI=1S/C9H7F3O4S/c10-9(11,12)17(15,16)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)Synonyms: 2-(4-((Trifluoromethyl)sulfonyl)phenyl)acetic acid | FIEUCHICQSJBAU-UHFFFAOYSA-N | 1099597-82-6 | [4-(Trifluoromethan...
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2-Chloro-7-methoxyquinoline-3-carbonitrileCas#: 128259-63-2 Compound CID: 778250Formula: C11H7ClN2O Molecular Weight: 218.64IUPAC Name: 2-chloro-7-methoxyquinoline-3-carbonitrileSMILES: COC1=CC2=NC(=C(C=C2C=C1)C#N)ClInChIKey: UTLRIOWIEJHVQJ-UHFFFAOYSA-NInChI: InChI=1S/C11H7ClN2O/c1-15-9-3-2-7-4-8(6-13)11(12)14-10(7)5-9/h2-5H,1H3Synonyms: AB11603 | DTXSID10354662 | HMS2643J07 | IDI1_025537 | chloro-7-methoxy-3-quinolinecarbonitrile | SMR000285080 | MLS00...
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2-Chloro-5,8-dimethylquinoline-3-carbonitrileCas#: 351363-12-7 Compound CID: 865184Formula: C12H9ClN2 Molecular Weight: 216.67IUPAC Name: 2-chloro-5,8-dimethylquinoline-3-carbonitrileSMILES: CC1=C2C=C(C(=NC2=C(C=C1)C)Cl)C#NInChIKey: SXMZARFPNUVUNV-UHFFFAOYSA-NInChI: InChI=1S/C12H9ClN2/c1-7-3-4-8(2)11-10(7)5-9(6-14)12(13)15-11/h3-5H,1-2H3Synonyms: AB12696 | SMR000282263 | DTXSID30357716 | MFCD02741714 | AKOS BB-7586 | MLS000712496 | CS-0327615 | 2-Chloro-5,8-dime...
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Hexadecafluoro-1,8-diiodooctaneCas#: 335-70-6 Compound CID: 528190Formula: C8F16I2 Molecular Weight: 653.87IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctaneSMILES: C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)I)(F)F)(F)F)(F)FInChIKey: SRDQTCUHAMDAMG-UHFFFAOYSA-NInChI: InChI=1S/C8F16I2/c9-1(10,3(13,14)5(17,18)7(21,22)25)2(11,12)4(15,16)6(19,20)8(23,24)26Synonyms: Hexadecafluoro-1,8-diiodooctane | 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecakis(fluoranyl)-1,8-bis(iodanyl)octane | J-0...
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2-(4-Bromophenyl)-1-phenylbenzimidazoleCas#: 2620-76-0 Compound CID: 23094070Formula: C19H13BrN2 Molecular Weight: 349.23IUPAC Name: 2-(4-bromophenyl)-1-phenylbenzimidazoleSMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)BrInChIKey: DXRLALXPCIOIDK-UHFFFAOYSA-NInChI: InChI=1S/C19H13BrN2/c20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13HSynonyms: 2620-76-0|2-(4-BROMOPHENYL)-1-PHENYL-1H-BENZOIMIDAZOLE|2-(4-Bromo-phenyl)-1-phenyl-1H-benzoimidazole|2-(4-bromophenyl...
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7-FlourochromoneCas#: 1159979-17-5 Compound CID: 22934709Formula: C9H5FO2 Molecular Weight: 164.13IUPAC Name: 7-fluorochromen-4-oneSMILES: C1=CC2=C(C=C1F)OC=CC2=OInChIKey: ITJYBKLZZBMQFE-UHFFFAOYSA-NInChI: InChI=1S/C9H5FO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5HSynonyms: 7-fluorochromen-4-one | 7-Fluoro-4H-1-benzopyran-4-one | 7-Fluoro-4H-chromen-4-one | 7-Flourochromone | BS-26462 | SC...
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8-Chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridineCas#: 156840-59-4 Compound CID: 21837514Formula: C7H6ClNO2 Molecular Weight: 171.58IUPAC Name: 8-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridineSMILES: C1COC2=NC=CC(=C2O1)ClInChIKey: DEJQDCVTJHJEMP-UHFFFAOYSA-NInChI: InChI=1S/C7H6ClNO2/c8-5-1-2-9-7-6(5)10-3-4-11-7/h1-2H,3-4H2Synonyms: 8-chloro-2H,3H-[1,4]dioxino[2,3-b]pyridine | CS-0216408 | DEJQDCVTJHJEMP-UHFFFAOYSA-N | 1,4-Dioxino[2,3-b]pyridine, 8...
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4-Hydroxy-4-piperidinecarboxylic acid hydrochlorideCas#: 495414-65-8 Compound CID: 53399214Formula: C6H12ClNO3 Molecular Weight: 181.62IUPAC Name: 4-hydroxypiperidine-4-carboxylic acid;hydrochlorideSMILES: C1CNCCC1(C(=O)O)O.ClInChIKey: XJJJVKSYSBNXLV-UHFFFAOYSA-NInChI: InChI=1S/C6H11NO3.ClH/c8-5(9)6(10)1-3-7-4-2-6;/h7,10H,1-4H2,(H,8,9);1HSynonyms: 4-Hydroxypiperidine-4-carboxylic acid hydrochloride|495414-65-8|4-hydroxypiperidine-4-carboxylic acid;hydrochloride|4...
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(E)-Methyl 3-(2-chloro-5-methylpyridin-3-yl)acrylateCas#: 1198401-58-9 Compound CID: 44517075Formula: C10H10ClNO2 Molecular Weight: 211.64IUPAC Name: methyl (E)-3-(2-chloro-5-methylpyridin-3-yl)prop-2-enoateSMILES: CC1=CC(=C(N=C1)Cl)C=CC(=O)OCInChIKey: KNMMNFCPGOFVTG-ONEGZZNKSA-NInChI: InChI=1S/C10H10ClNO2/c1-7-5-8(10(11)12-6-7)3-4-9(13)14-2/h3-6H,1-2H3/b4-3+
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(E)-Methyl 3-(5-fluoro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)acrylateCas#: 1241950-74-2 Compound CID: 49761622Formula: C20H29FN2O2Si Molecular Weight: 376.54IUPAC Name: methyl (E)-3-[5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-2-enoateSMILES: CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C(=CN=C21)F)C=CC(=O)OCInChIKey: BOFZQUJQEHXMRX-CMDGGOBGSA-NInChI: InChI=1S/C20H29FN2O2Si/c1-13(2)26(14(3)4,15(5)6)23-11-10-17-16(8-9-19(24)25-7)18(21)12-22-20(17)23/h8-15H,1-7H3/b9-8+Synonyms: Methyl (E)-3-(5-fluoro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)acrylate | (E)-Methyl 3-(5-fluoro-1-(triis...
