6-acetyl-3-methoxypyridine-2-carboxylic acid

C9H9NO4 — CID 83818532

IUPAC6-acetyl-3-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(C)=O)nc1C(=O)O
InChIInChI=1S/C9H9NO4/c1-5(11)6-3-4-7(14-2)8(10-6)9(12)13/h3-4H,1-2H3,(H,12,13)
InChIKeyOGJFDHVBBKDASY-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.99
Rot. Bonds3

About 6-acetyl-3-methoxypyridine-2-carboxylic acid

6-acetyl-3-methoxypyridine-2-carboxylic acid (PubChem CID 83818532) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 6-acetyl-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-acetyl-3-methoxypyridine-2-carboxylic acid
PubChem CID83818532
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name6-acetyl-3-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(C)=O)nc1C(=O)O
InChIInChI=1S/C9H9NO4/c1-5(11)6-3-4-7(14-2)8(10-6)9(12)13/h3-4H,1-2H3,(H,12,13)
InChIKeyOGJFDHVBBKDASY-UHFFFAOYSA-N
XLogP0.99
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-acetyl-3-methoxypyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propan-2-yloxypyridine-2,6-dicarboxylic acid
CID 141375769
1-(6-chloro-3-methoxy-2-pyridinyl)ethanone
CID 119004175
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917
2-amino-5-methoxypyrimidine-4-carboxylic acid
CID 83816093
6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid
CID 90819541
5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696093
5,8-dimethoxyisoquinoline-1-carboxylic acid
CID 82390143
5-acetyl-2-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696176
6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid
CID 125488706
N-hydroxy-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine-2-carboxamide
CID 130227383
methyl 6-acetylpyridine-2-carboxylate
CID 11412711

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 6-acetyl-3-methoxypyridine-2-carboxylic acid (CID 83818532) is 6-acetyl-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-acetyl-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-acetyl-3-methoxypyridine-2-carboxylic acid is COc1ccc(C(C)=O)nc1C(=O)O.
What is the InChIKey of 6-acetyl-3-methoxypyridine-2-carboxylic acid?
The InChIKey is OGJFDHVBBKDASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-5(11)6-3-4-7(14-2)8(10-6)9(12)13/h3-4H,1-2H3,(H,12,13).
What are the key properties of 6-acetyl-3-methoxypyridine-2-carboxylic acid?
6-acetyl-3-methoxypyridine-2-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 83818532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).