3-benzoylpyridine-2-carboxylic acid

C13H9NO3 — CID 726941

IUPAC3-benzoylpyridine-2-carboxylic acid
SMILESO=C(c1ccccc1)c1cccnc1C(=O)O
InChIInChI=1S/C13H9NO3/c15-12(9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(16)17/h1-8H,(H,16,17)
InChIKeyYERHKEWRHQIXFY-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.01
Rot. Bonds3

About 3-benzoylpyridine-2-carboxylic acid

3-benzoylpyridine-2-carboxylic acid (PubChem CID 726941) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-benzoylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-benzoylpyridine-2-carboxylic acid
PubChem CID726941
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name3-benzoylpyridine-2-carboxylic acid
SMILESO=C(c1ccccc1)c1cccnc1C(=O)O
InChIInChI=1S/C13H9NO3/c15-12(9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(16)17/h1-8H,(H,16,17)
InChIKeyYERHKEWRHQIXFY-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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Frequently Asked Questions

What is the IUPAC name of 3-benzoylpyridine-2-carboxylic acid?
The IUPAC name of 3-benzoylpyridine-2-carboxylic acid (CID 726941) is 3-benzoylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-benzoylpyridine-2-carboxylic acid?
The canonical SMILES for 3-benzoylpyridine-2-carboxylic acid is O=C(c1ccccc1)c1cccnc1C(=O)O.
What is the InChIKey of 3-benzoylpyridine-2-carboxylic acid?
The InChIKey is YERHKEWRHQIXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-12(9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(16)17/h1-8H,(H,16,17).
What are the key properties of 3-benzoylpyridine-2-carboxylic acid?
3-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 3-benzoylpyridine-2-carboxylic acid is sourced from PubChem (CID 726941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).