2-(Pyridine-2-carbonyl)benzoic acid
Basic information
- CAS
27693-49-8- Standard SMILES
O=C(O)c1ccccc1C(=O)c1ccccn1- InChIKey
WTUKXPYMQWVXOB-UHFFFAOYSA-N- Molecular formula
- C13H9NO3
- Average molar mass
- 227.21 g/mol
- Monoisotopic mass
- 227.05824315
Names & identifiers
- Preferred name
- 2-(Pyridine-2-carbonyl)benzoic acid
- IUPAC
- 2-(pyridine-2-carbonyl)benzoic acid
- English name
- 2-(pyridine-2-carbonyl)benzoic acid
- Molecular formula
- C13H9NO3
- Molecular weight
- 227.22
Names & synonyms
2-(pyridine-2-carbonyl)benzoic acid27693-49-82-picolinoylbenzoic acid2-(2-pyridylcarbonyl)benzoic acidNSC320001SCHEMBL5717594WTUKXPYMQWVXOB-UHFFFAOYSA-DTXSID50317736AKOS003278044NSC-320001DB-216555InChI=1/C13H9NO3/c15-12(11-7-3-4-8-14-11)9-5-1-2-6-10(9)13(16)17/h1-8H,(H,16,17)
Show more names
Benzoic acid, 2-(2-pyridinylcarbonyl)-
Database identifiers
- CAS
27693-49-8- PubChem CID
- 330748
- DTXSID
DTXSID50317736- Nikkaji
- J2.020.905D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
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Compound notes
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