5-benzoylpyridine-2-carboxylic acid

C13H9NO3 — CID 165358123

IUPAC5-benzoylpyridine-2-carboxylic acid
SMILESO=C(c1ccccc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H9NO3/c15-12(9-4-2-1-3-5-9)10-6-7-11(13(16)17)14-8-10/h1-8H,(H,16,17)
InChIKeyRMBBHHUBCHAJHA-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.01
Rot. Bonds3

About 5-benzoylpyridine-2-carboxylic acid

5-benzoylpyridine-2-carboxylic acid (PubChem CID 165358123) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-benzoylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-benzoylpyridine-2-carboxylic acid
PubChem CID165358123
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name5-benzoylpyridine-2-carboxylic acid
SMILESO=C(c1ccccc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H9NO3/c15-12(9-4-2-1-3-5-9)10-6-7-11(13(16)17)14-8-10/h1-8H,(H,16,17)
InChIKeyRMBBHHUBCHAJHA-UHFFFAOYSA-N
XLogP2.01
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridine-2,5-dicarboxylic acid
CID 158970171
phenyl-(6-phenyl-3-pyridinyl)methanone
CID 10890606
diphenylmethanone
CID 3102
(6-methylsulfanyl-3-pyridinyl)-phenylmethanone
CID 102546554
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103376
5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid
CID 69399073

Frequently Asked Questions

What is the IUPAC name of 5-benzoylpyridine-2-carboxylic acid?
The IUPAC name of 5-benzoylpyridine-2-carboxylic acid (CID 165358123) is 5-benzoylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-benzoylpyridine-2-carboxylic acid?
The canonical SMILES for 5-benzoylpyridine-2-carboxylic acid is O=C(c1ccccc1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-benzoylpyridine-2-carboxylic acid?
The InChIKey is RMBBHHUBCHAJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-12(9-4-2-1-3-5-9)10-6-7-11(13(16)17)14-8-10/h1-8H,(H,16,17).
What are the key properties of 5-benzoylpyridine-2-carboxylic acid?
5-benzoylpyridine-2-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoylpyridine-2-carboxylic acid is sourced from PubChem (CID 165358123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).