3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid

C7H7NO4 — CID 130423922

IUPAC3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(=O)c(O)c(C(=O)O)[nH]1
InChIInChI=1S/C7H7NO4/c1-3-2-4(9)6(10)5(8-3)7(11)12/h2,10H,1H3,(H,8,9)(H,11,12)
InChIKeyXNWQBUPQWNNJAL-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.09
Rot. Bonds1

About 3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid

3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 130423922) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID130423922
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(=O)c(O)c(C(=O)O)[nH]1
InChIInChI=1S/C7H7NO4/c1-3-2-4(9)6(10)5(8-3)7(11)12/h2,10H,1H3,(H,8,9)(H,11,12)
InChIKeyXNWQBUPQWNNJAL-UHFFFAOYSA-N
XLogP0.09
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Chelidamic Acid
CID 8743
1,3-Dihydroxy-6-methyl-4-oxopyridine-2-carboxylic acid
CID 130407764
6-Bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 90702473
3-Hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid
CID 54720943
4-Oxo-1,4-dihydropyridine-2,6-dicarboxylic acid hydrate
CID 12302905
6-Methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 71299974
6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 130083473
6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 130100262
6-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 130100265
6-methyl-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 130112278
6-cyano-5-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 53851011
5-hydroxy-6-(hydroxymethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 53946810

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid (CID 130423922) is 3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid is Cc1cc(=O)c(O)c(C(=O)O)[nH]1.
What is the InChIKey of 3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is XNWQBUPQWNNJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-3-2-4(9)6(10)5(8-3)7(11)12/h2,10H,1H3,(H,8,9)(H,11,12).
What are the key properties of 3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid?
3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of 0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 130423922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).