4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid

C8H7NO5 — CID 23469803

IUPAC4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid
SMILESCc1cc(=O)[nH]c(C(=O)O)c1C(=O)O
InChIInChI=1S/C8H7NO5/c1-3-2-4(10)9-6(8(13)14)5(3)7(11)12/h2H,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyQWAISQXOICIKFL-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.08
Rot. Bonds2

About 4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid

4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid (PubChem CID 23469803) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid
PubChem CID23469803
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid
SMILESCc1cc(=O)[nH]c(C(=O)O)c1C(=O)O
InChIInChI=1S/C8H7NO5/c1-3-2-4(10)9-6(8(13)14)5(3)7(11)12/h2H,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyQWAISQXOICIKFL-UHFFFAOYSA-N
XLogP0.08
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid?
The IUPAC name of 4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid (CID 23469803) is 4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid?
The canonical SMILES for 4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid is Cc1cc(=O)[nH]c(C(=O)O)c1C(=O)O.
What is the InChIKey of 4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid?
The InChIKey is QWAISQXOICIKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c1-3-2-4(10)9-6(8(13)14)5(3)7(11)12/h2H,1H3,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid?
4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid has a molecular weight of 197.15 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 23469803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).