3-methoxy-6-methylpyridine-2-carboxylic acid

C8H9NO3 — CID 13358776

IUPAC3-methoxy-6-methylpyridine-2-carboxylic acid
SMILESCOc1ccc(C)nc1C(=O)O
InChIInChI=1S/C8H9NO3/c1-5-3-4-6(12-2)7(9-5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChIKeyYXPKQDCZXAWFNN-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.10
Rot. Bonds2

About 3-methoxy-6-methylpyridine-2-carboxylic acid

3-methoxy-6-methylpyridine-2-carboxylic acid (PubChem CID 13358776) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 3-methoxy-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-6-methylpyridine-2-carboxylic acid
PubChem CID13358776
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name3-methoxy-6-methylpyridine-2-carboxylic acid
SMILESCOc1ccc(C)nc1C(=O)O
InChIInChI=1S/C8H9NO3/c1-5-3-4-6(12-2)7(9-5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChIKeyYXPKQDCZXAWFNN-UHFFFAOYSA-N
XLogP1.10
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-6-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-6-methylpyridine-2-carboxylic acid (CID 13358776) is 3-methoxy-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-6-methylpyridine-2-carboxylic acid is COc1ccc(C)nc1C(=O)O.
What is the InChIKey of 3-methoxy-6-methylpyridine-2-carboxylic acid?
The InChIKey is YXPKQDCZXAWFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-3-4-6(12-2)7(9-5)8(10)11/h3-4H,1-2H3,(H,10,11).
What are the key properties of 3-methoxy-6-methylpyridine-2-carboxylic acid?
3-methoxy-6-methylpyridine-2-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 13358776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).