Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Basic Description
| Synonyms | 4385-77-7 | 3-Pyridin-3-yl-benzoic acid | 3-(Pyridin-3-yl)benzoic acid | 3-(3'-Pyridyl)benzoic acid | 3-(3-Pyridinyl)benzoic acid | 3-pyridin-3-ylbenzoic Acid | 3-pyrid-3-ylbenzoic acid | CHEMBL3896367 | MFCD03426512 | 3-(3-pyridyl)benzoic acid | BENZOIC ACID, 3-(3-PYRIDINYL |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
AI Insight
Associated Targets(Human)
KMO
Tchem
Kynurenine 3-monooxygenase (1 Activities)
KMO
Tchem
Kynurenine 3-monooxygenase (379 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488194020 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194020 |
| IUPAC Name | 3-pyridin-3-ylbenzoic acid |
| INCHI | InChI=1S/C12H9NO2/c14-12(15)10-4-1-3-9(7-10)11-5-2-6-13-8-11/h1-8H,(H,14,15) |
| InChi Key | PXASTGBSGPFLFJ-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CN=CC=C2 |
| Isomeric SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CN=CC=C2 |
| PubChem CID | 2795575 |
| Molecular Weight | 199.21 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2223511 |
Certificate of Analysis | Jun 30, 2022 | P193415 |
| H2223548 |
Certificate of Analysis | Jun 30, 2022 | P193415 |
| H2223577 |
Certificate of Analysis | Jun 30, 2022 | P193415 |
Chemical and Physical Properties
| Molecular Weight | 199.200 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 199.063 Da |
| Monoisotopic Mass | 199.063 Da |
| Topological Polar Surface Area | 50.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 230.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Safety and Hazards(GHS)
| Pictogram(s) | GHS07 |
|---|---|
| Signal | Warning |
| Hazard Statements |
H315: Causes skin irritation H319: Causes serious eye irritation H335: May cause respiratory irritation H302: Harmful if swallowed |
| Precautionary Statements |
P261: Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280: Wear protective gloves/protective clothing/eye protection/face protection. P302+P352: IF ON SKIN: wash with plenty of water. P321: Specific treatment (see ... on this label). P405: Store locked up. P501: Dispose of contents/container to ... P264: Wash hands [and …] thoroughly after handling. P271: Use only outdoors or in a well-ventilated area. P270: Do not eat, drink or smoke when using this product. P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233: Store in a well-ventilated place. Keep container tightly closed. P362+P364: Take off contaminated clothing and wash it before reuse. P330: Rinse mouth. P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317: IF SWALLOWED: Get medical help. P337+P317: If eye irritation persists: Get medical help. P332+P317: If skin irritation occurs: Get medical help. P319: Get medical help if you feel unwell. |
Specifications
Solution Calculators
Reviews
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