Halogenated Heterocycles
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2-Chloro-3-fluoro-5-(tributylstannyl)pyridineCas#: 405556-97-0 Compound CID: 46839941Formula: C17H29ClFNSn Molecular Weight: 420.6IUPAC Name: tributyl-(6-chloro-5-fluoropyridin-3-yl)stannaneSMILES: CCCC[Sn](CCCC)(CCCC)C1=CC(=C(N=C1)Cl)FInChIKey: RVWINZZAKLQMEB-UHFFFAOYSA-NInChI: InChI=1S/C5H2ClFN.3C4H9.Sn/c6-5-4(7)2-1-3-8-5;3*1-3-4-2;/h2-3H;3*1,3-4H2,2H3;Synonyms: 2-Chloro-3-fluoro-5-(tributylstannyl)pyridine, AldrichCPR | DTXSID40676682 | FT-0685691 | MFCD12827556 | F81984 | A91...
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4-Chloro-3-nitropyridineCas#: 13091-23-1 Compound CID: 2735781Formula: C5H3ClN2O2 Molecular Weight: 158.54IUPAC Name: 4-chloro-3-nitropyridineSMILES: C1=CN=CC(=C1Cl)[N+](=O)[O-]InChIKey: JOTRPRKONYTVBV-UHFFFAOYSA-NInChI: InChI=1S/C5H3ClN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3HSynonyms: 4-Chloro-3-nitropyridine | 4-Chloro-3-nitro-pyridine | 4Chloro-3-nitropyridine | Z359373116 | AKOS005206722 | FT-0600...
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2,3,6-Trifluoropyridine-4-carboxylic acidCas#: 675602-92-3 Compound CID: 2782837Formula: C6H2F3NO2 Molecular Weight: 177.08IUPAC Name: 2,3,6-trifluoropyridine-4-carboxylic acidSMILES: C1=C(C(=C(N=C1F)F)F)C(=O)OInChIKey: RXNORRUCMWSIQZ-UHFFFAOYSA-NInChI: InChI=1S/C6H2F3NO2/c7-3-1-2(6(11)12)4(8)5(9)10-3/h1H,(H,11,12)Synonyms: 4-Pyridinecarboxylicacid,2,3,6-trifluoro- | 2,3,6-Trifluoropyridine-4-carboxylic acid | Z1203162190 | MFCD03840204 | ...
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perfluoro(methylcyclopentane)Cas#: 1805-22-7 Compound CID: 74546Formula: C6F12 Molecular Weight: 300.05IUPAC Name: 1,1,2,2,3,3,4,4,5-nonafluoro-5-(trifluoromethyl)cyclopentaneSMILES: C1(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)FInChIKey: BCNXQFASJTYKDJ-UHFFFAOYSA-NInChI: InChI=1S/C6F12/c7-1(6(16,17)18)2(8,9)4(12,13)5(14,15)3(1,10)11Synonyms: BCNXQFASJTYKDJ-UHFFFAOYSA-N | DTXSID7061982 | Nonafluoro(trifluoromethyl)cyclopentane | FIFLOW 50 | 8S014W4T75 | MFCD...
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Methyl 2-(9-bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido[1,2,3-de]quinoxalin-5-yl)acetateCas#: 150533-87-2 Compound CID: 10066635Formula: C14H13BrN2O4 Molecular Weight: 353.17IUPAC Name: methyl 2-(7-bromo-2,3-dioxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-12-yl)acetateSMILES: COC(=O)CC1CCC2=C3N1C(=O)C(=O)NC3=CC(=C2)BrInChIKey: DJBJHCWNSQGQQA-UHFFFAOYSA-NInChI: InChI=1S/C14H13BrN2O4/c1-21-11(18)6-9-3-2-7-4-8(15)5-10-12(7)17(9)14(20)13(19)16-10/h4-5,9H,2-3,6H2,1H3,(H,16,19)
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5-Bromo-8-nitroisoquinolineCas#: 63927-23-1 Compound CID: 816983Formula: C9H5BrN2O2 Molecular Weight: 253.06IUPAC Name: 5-bromo-8-nitroisoquinolineSMILES: C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])BrInChIKey: ULGOLOXWHJEZNZ-UHFFFAOYSA-NInChI: InChI=1S/C9H5BrN2O2/c10-8-1-2-9(12(13)14)7-5-11-4-3-6(7)8/h1-5HSynonyms: (E)-tert-butyl4-(1-amino-3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylate | EN300-09137 | SY002217 | Z55993019 | J-...
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5-Bromo-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamideCas#: 410544-56-8 Compound CID: 22346401Formula: C16H11BrFN3O2 Molecular Weight: 376.18IUPAC Name: 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamideSMILES: C1=CC2=C(C(=C(N=C2Br)C(=O)NCC3=CC=C(C=C3)F)O)N=C1InChIKey: VRVGOUHPADQNHC-UHFFFAOYSA-NInChI: InChI=1S/C16H11BrFN3O2/c17-15-11-2-1-7-19-12(11)14(22)13(21-15)16(23)20-8-9-3-5-10(18)6-4-9/h1-7,22H,8H2,(H,20,23)
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8-Bromo-3-methoxyisoquinolineCas#: 608515-50-0 Compound CID: 52270657Formula: C10H8BrNO Molecular Weight: 238.08IUPAC Name: 8-bromo-3-methoxyisoquinolineSMILES: COC1=NC=C2C(=C1)C=CC=C2BrInChIKey: PKOWJHRDTZPIHB-UHFFFAOYSA-NInChI: InChI=1S/C10H8BrNO/c1-13-10-5-7-3-2-4-9(11)8(7)6-12-10/h2-6H,1H3Synonyms: DTXSID20680469 | SCHEMBL5657797 | PKOWJHRDTZPIHB-UHFFFAOYSA-N | 8-Bromo-3-methoxyisoquinoline | 8-Bromo-3-methoxyisoq...
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1-(4-fluorophenyl)cyclopropane-1-carbonitrileCas#: 97009-67-1 Compound CID: 2781259Formula: C10H8FN Molecular Weight: 161.18IUPAC Name: 1-(4-fluorophenyl)cyclopropane-1-carbonitrileSMILES: C1CC1(C#N)C2=CC=C(C=C2)FInChIKey: MFNQFDZHIVUCOX-UHFFFAOYSA-NInChI: InChI=1S/C10H8FN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
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10-Chlorodecan-1-olCas#: 51309-10-5 Compound CID: 123526Formula: Cl(CH2)10OH Molecular Weight: 192.73IUPAC Name: 10-chlorodecan-1-olSMILES: C(CCCCCCl)CCCCOInChIKey: OTUSESJECXGMIV-UHFFFAOYSA-NInChI: InChI=1S/C10H21ClO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2
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2-((2,4-Dichlorophenyl)sulfonyl)acetonitrileCas#: 87475-64-7 Compound CID: 2735962Formula: C8H5Cl2NO2S Molecular Weight: 250.09IUPAC Name: 2-(2,4-dichlorophenyl)sulfonylacetonitrileSMILES: C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)CC#NInChIKey: RIJAUKHQIOCSTA-UHFFFAOYSA-NInChI: InChI=1S/C8H5Cl2NO2S/c9-6-1-2-8(7(10)5-6)14(12,13)4-3-11/h1-2,5H,4H2
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1-(3-chlorophenyl)cyclobutane-1-carboxylic acidCas#: 151157-55-0 Compound CID: 644449Formula: C11H11ClO2 Molecular Weight: 210.65IUPAC Name: 1-(3-chlorophenyl)cyclobutane-1-carboxylic acidSMILES: C1CC(C1)(C2=CC(=CC=C2)Cl)C(=O)OInChIKey: RCVMSQRTMODMHH-UHFFFAOYSA-NInChI: InChI=1S/C11H11ClO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14)