5-methylpyridine-2,3-dicarboxylic acid

C8H7NO4 — CID 14425308

IUPAC5-methylpyridine-2,3-dicarboxylic acid
SMILESCc1cnc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C8H7NO4/c1-4-2-5(7(10)11)6(8(12)13)9-3-4/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyJPIJMXOJEHMTPU-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.79
Rot. Bonds2

About 5-methylpyridine-2,3-dicarboxylic acid

5-methylpyridine-2,3-dicarboxylic acid (PubChem CID 14425308) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is 5-methylpyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-methylpyridine-2,3-dicarboxylic acid
PubChem CID14425308
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name5-methylpyridine-2,3-dicarboxylic acid
SMILESCc1cnc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C8H7NO4/c1-4-2-5(7(10)11)6(8(12)13)9-3-4/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyJPIJMXOJEHMTPU-UHFFFAOYSA-N
XLogP0.79
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyridine-2,3-dicarboxylic acid?
The IUPAC name of 5-methylpyridine-2,3-dicarboxylic acid (CID 14425308) is 5-methylpyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 5-methylpyridine-2,3-dicarboxylic acid?
The canonical SMILES for 5-methylpyridine-2,3-dicarboxylic acid is Cc1cnc(C(=O)O)c(C(=O)O)c1.
What is the InChIKey of 5-methylpyridine-2,3-dicarboxylic acid?
The InChIKey is JPIJMXOJEHMTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c1-4-2-5(7(10)11)6(8(12)13)9-3-4/h2-3H,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-methylpyridine-2,3-dicarboxylic acid?
5-methylpyridine-2,3-dicarboxylic acid has a molecular weight of 181.15 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 14425308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).