4-(3-acetylphenyl)pyridine-3-carboxylic acid

C14H11NO3 — CID 53229293

IUPAC4-(3-acetylphenyl)pyridine-3-carboxylic acid
SMILESCC(=O)c1cccc(-c2ccncc2C(=O)O)c1
InChIInChI=1S/C14H11NO3/c1-9(16)10-3-2-4-11(7-10)12-5-6-15-8-13(12)14(17)18/h2-8H,1H3,(H,17,18)
InChIKeyGAUOVQZXMHKVCW-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.65
Rot. Bonds3

About 4-(3-acetylphenyl)pyridine-3-carboxylic acid

4-(3-acetylphenyl)pyridine-3-carboxylic acid (PubChem CID 53229293) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(3-acetylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-acetylphenyl)pyridine-3-carboxylic acid
PubChem CID53229293
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name4-(3-acetylphenyl)pyridine-3-carboxylic acid
SMILESCC(=O)c1cccc(-c2ccncc2C(=O)O)c1
InChIInChI=1S/C14H11NO3/c1-9(16)10-3-2-4-11(7-10)12-5-6-15-8-13(12)14(17)18/h2-8H,1H3,(H,17,18)
InChIKeyGAUOVQZXMHKVCW-UHFFFAOYSA-N
XLogP2.65
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3-acetylphenyl)pyridine-3-carboxylic acid (CID 53229293) is 4-(3-acetylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-acetylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-acetylphenyl)pyridine-3-carboxylic acid is CC(=O)c1cccc(-c2ccncc2C(=O)O)c1.
What is the InChIKey of 4-(3-acetylphenyl)pyridine-3-carboxylic acid?
The InChIKey is GAUOVQZXMHKVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-9(16)10-3-2-4-11(7-10)12-5-6-15-8-13(12)14(17)18/h2-8H,1H3,(H,17,18).
What are the key properties of 4-(3-acetylphenyl)pyridine-3-carboxylic acid?
4-(3-acetylphenyl)pyridine-3-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53229293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).