6-(2-acetamidophenyl)pyridine-3-carboxylic acid

C14H12N2O3 — CID 53427670

IUPAC6-(2-acetamidophenyl)pyridine-3-carboxylic acid
SMILESCC(=O)Nc1ccccc1-c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H12N2O3/c1-9(17)16-13-5-3-2-4-11(13)12-7-6-10(8-15-12)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyMTYSUONEYMLJNS-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.41
Rot. Bonds3

About 6-(2-acetamidophenyl)pyridine-3-carboxylic acid

6-(2-acetamidophenyl)pyridine-3-carboxylic acid (PubChem CID 53427670) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-(2-acetamidophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-acetamidophenyl)pyridine-3-carboxylic acid
PubChem CID53427670
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name6-(2-acetamidophenyl)pyridine-3-carboxylic acid
SMILESCC(=O)Nc1ccccc1-c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H12N2O3/c1-9(17)16-13-5-3-2-4-11(13)12-7-6-10(8-15-12)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyMTYSUONEYMLJNS-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

6-(2-hydroxyphenyl)pyridine-3-carboxylic acid
CID 135741475
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 24729986
6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid
CID 59153724
6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 107645121
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880
N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
CID 118529738
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
6-[2-(methanesulfonamido)phenyl]pyridine-3-sulfonic acid
CID 87212310
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859

Frequently Asked Questions

What is the IUPAC name of 6-(2-acetamidophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-acetamidophenyl)pyridine-3-carboxylic acid (CID 53427670) is 6-(2-acetamidophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-acetamidophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-acetamidophenyl)pyridine-3-carboxylic acid is CC(=O)Nc1ccccc1-c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-acetamidophenyl)pyridine-3-carboxylic acid?
The InChIKey is MTYSUONEYMLJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9(17)16-13-5-3-2-4-11(13)12-7-6-10(8-15-12)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(2-acetamidophenyl)pyridine-3-carboxylic acid?
6-(2-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 6-(2-acetamidophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53427670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).