2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid

C19H13NO3 — CID 13297405

IUPAC2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)c1ccccn1
InChIInChI=1S/C19H13NO3/c21-18(17-11-5-6-12-20-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)19(22)23/h1-12H,(H,22,23)
InChIKeyFPSDUDWHJRQWFM-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.68
Rot. Bonds4

About 2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid

2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid (PubChem CID 13297405) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid
PubChem CID13297405
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)c1ccccn1
InChIInChI=1S/C19H13NO3/c21-18(17-11-5-6-12-20-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)19(22)23/h1-12H,(H,22,23)
InChIKeyFPSDUDWHJRQWFM-UHFFFAOYSA-N
XLogP3.68
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid (CID 13297405) is 2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccccc1C(=O)c1ccccn1.
What is the InChIKey of 2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid?
The InChIKey is FPSDUDWHJRQWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-18(17-11-5-6-12-20-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)19(22)23/h1-12H,(H,22,23).
What are the key properties of 2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid?
2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid has a molecular weight of 303.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridine-2-carbonyl)phenyl]benzoic acid is sourced from PubChem (CID 13297405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).