6-methylpyridine-2,3-dicarboxylic acid

C8H7NO4 — CID 542567

IUPAC6-methylpyridine-2,3-dicarboxylic acid
SMILESCc1ccc(C(=O)O)c(C(=O)O)n1
InChIInChI=1S/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyPHQBKLKZIXCRIX-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.79
Rot. Bonds2

About 6-methylpyridine-2,3-dicarboxylic acid

6-methylpyridine-2,3-dicarboxylic acid (PubChem CID 542567) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is 6-methylpyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name6-methylpyridine-2,3-dicarboxylic acid
PubChem CID542567
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name6-methylpyridine-2,3-dicarboxylic acid
SMILESCc1ccc(C(=O)O)c(C(=O)O)n1
InChIInChI=1S/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyPHQBKLKZIXCRIX-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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Related Compounds

Quinolinic Acid
CID 1066
2,6-Pyridinedicarboxylic acid
CID 10367
2,5-Pyridinedicarboxylic acid
CID 7493
6-Methylpyridine-2-carboxylic acid
CID 70282
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
2,3-Quinolinedicarboxylic acid
CID 69508
5-Ethylquinolinic acid
CID 113606
2-Methyl-6-phenylpyridine-3-carboxylic acid
CID 822960
Npc323084
CID 5460301
2,6-Dimethylpyridine-3,5-dicarboxylic acid
CID 296010
2-Acetyl-3-pyridinecarboxylic acid
CID 10176278
2,3-Pyridinedicarboxylic acid, 5-methyl-
CID 14425308

Frequently Asked Questions

What is the IUPAC name of 6-methylpyridine-2,3-dicarboxylic acid?
The IUPAC name of 6-methylpyridine-2,3-dicarboxylic acid (CID 542567) is 6-methylpyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 6-methylpyridine-2,3-dicarboxylic acid?
The canonical SMILES for 6-methylpyridine-2,3-dicarboxylic acid is Cc1ccc(C(=O)O)c(C(=O)O)n1.
What is the InChIKey of 6-methylpyridine-2,3-dicarboxylic acid?
The InChIKey is PHQBKLKZIXCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13).
What are the key properties of 6-methylpyridine-2,3-dicarboxylic acid?
6-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 6-methylpyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 542567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).