2-(3-acetamidophenyl)pyridine-3-carboxylic acid

C14H12N2O3 — CID 53223643

IUPAC2-(3-acetamidophenyl)pyridine-3-carboxylic acid
SMILESCC(=O)Nc1cccc(-c2ncccc2C(=O)O)c1
InChIInChI=1S/C14H12N2O3/c1-9(17)16-11-5-2-4-10(8-11)13-12(14(18)19)6-3-7-15-13/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyYVFPPTKAVIHMPQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.41
Rot. Bonds3

About 2-(3-acetamidophenyl)pyridine-3-carboxylic acid

2-(3-acetamidophenyl)pyridine-3-carboxylic acid (PubChem CID 53223643) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-acetamidophenyl)pyridine-3-carboxylic acid
PubChem CID53223643
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(3-acetamidophenyl)pyridine-3-carboxylic acid
SMILESCC(=O)Nc1cccc(-c2ncccc2C(=O)O)c1
InChIInChI=1S/C14H12N2O3/c1-9(17)16-11-5-2-4-10(8-11)13-12(14(18)19)6-3-7-15-13/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyYVFPPTKAVIHMPQ-UHFFFAOYSA-N
XLogP2.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
2-(3-acetamidophenoxy)pyridine-3-carboxylic acid
CID 22612378
N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide
CID 50983123
5-(3-acetamidophenyl)-2-hydroxybenzoic acid
CID 10978560
2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224701
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
2-(3-acetamidophenyl)-5-methoxybenzoic acid
CID 53227035
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide
CID 126469747

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-acetamidophenyl)pyridine-3-carboxylic acid (CID 53223643) is 2-(3-acetamidophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-acetamidophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-acetamidophenyl)pyridine-3-carboxylic acid is CC(=O)Nc1cccc(-c2ncccc2C(=O)O)c1.
What is the InChIKey of 2-(3-acetamidophenyl)pyridine-3-carboxylic acid?
The InChIKey is YVFPPTKAVIHMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9(17)16-11-5-2-4-10(8-11)13-12(14(18)19)6-3-7-15-13/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-acetamidophenyl)pyridine-3-carboxylic acid?
2-(3-acetamidophenyl)pyridine-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53223643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).