6-methylpyridine-2,4,5-tricarboxylic acid

C9H7NO6 — CID 5156747

IUPAC6-methylpyridine-2,4,5-tricarboxylic acid
SMILESCc1nc(C(=O)O)cc(C(=O)O)c1C(=O)O
InChIInChI=1S/C9H7NO6/c1-3-6(9(15)16)4(7(11)12)2-5(10-3)8(13)14/h2H,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyJCWMQJBDIZVAOW-UHFFFAOYSA-N
MW225.16 g/mol
LogP0.48
Rot. Bonds3

About 6-methylpyridine-2,4,5-tricarboxylic acid

6-methylpyridine-2,4,5-tricarboxylic acid (PubChem CID 5156747) has the molecular formula C9H7NO6 and a molecular weight of 225.16 g/mol. Its IUPAC name is 6-methylpyridine-2,4,5-tricarboxylic acid.

Molecular Properties

Compound Name6-methylpyridine-2,4,5-tricarboxylic acid
PubChem CID5156747
Molecular FormulaC9H7NO6
Molecular Weight225.16 g/mol
Exact Mass225.03
IUPAC Name6-methylpyridine-2,4,5-tricarboxylic acid
SMILESCc1nc(C(=O)O)cc(C(=O)O)c1C(=O)O
InChIInChI=1S/C9H7NO6/c1-3-6(9(15)16)4(7(11)12)2-5(10-3)8(13)14/h2H,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyJCWMQJBDIZVAOW-UHFFFAOYSA-N
XLogP0.48
TPSA124.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-methylpyridine-2,4,5-tricarboxylic 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 6-methylpyridine-2,4,5-tricarboxylic acid?
The IUPAC name of 6-methylpyridine-2,4,5-tricarboxylic acid (CID 5156747) is 6-methylpyridine-2,4,5-tricarboxylic acid.
What is the SMILES notation for 6-methylpyridine-2,4,5-tricarboxylic acid?
The canonical SMILES for 6-methylpyridine-2,4,5-tricarboxylic acid is Cc1nc(C(=O)O)cc(C(=O)O)c1C(=O)O.
What is the InChIKey of 6-methylpyridine-2,4,5-tricarboxylic acid?
The InChIKey is JCWMQJBDIZVAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO6/c1-3-6(9(15)16)4(7(11)12)2-5(10-3)8(13)14/h2H,1H3,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 6-methylpyridine-2,4,5-tricarboxylic acid?
6-methylpyridine-2,4,5-tricarboxylic acid has a molecular weight of 225.16 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridine-2,4,5-tricarboxylic acid is sourced from PubChem (CID 5156747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).