2-(pyridine-4-carbonyl)benzoic acid

C13H9NO3 — CID 10331312

IUPAC2-(pyridine-4-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccncc1
InChIInChI=1S/C13H9NO3/c15-12(9-5-7-14-8-6-9)10-3-1-2-4-11(10)13(16)17/h1-8H,(H,16,17)
InChIKeyQYJXRNIDMQAUMA-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.01
Rot. Bonds3

About 2-(pyridine-4-carbonyl)benzoic acid

2-(pyridine-4-carbonyl)benzoic acid (PubChem CID 10331312) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(pyridine-4-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(pyridine-4-carbonyl)benzoic acid
PubChem CID10331312
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name2-(pyridine-4-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccncc1
InChIInChI=1S/C13H9NO3/c15-12(9-5-7-14-8-6-9)10-3-1-2-4-11(10)13(16)17/h1-8H,(H,16,17)
InChIKeyQYJXRNIDMQAUMA-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 2-(pyridine-4-carbonyl)benzoic acid?
The IUPAC name of 2-(pyridine-4-carbonyl)benzoic acid (CID 10331312) is 2-(pyridine-4-carbonyl)benzoic acid.
What is the SMILES notation for 2-(pyridine-4-carbonyl)benzoic acid?
The canonical SMILES for 2-(pyridine-4-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1ccncc1.
What is the InChIKey of 2-(pyridine-4-carbonyl)benzoic acid?
The InChIKey is QYJXRNIDMQAUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-12(9-5-7-14-8-6-9)10-3-1-2-4-11(10)13(16)17/h1-8H,(H,16,17).
What are the key properties of 2-(pyridine-4-carbonyl)benzoic acid?
2-(pyridine-4-carbonyl)benzoic 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 2-(pyridine-4-carbonyl)benzoic acid is sourced from PubChem (CID 10331312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).