2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate

C7H6NO4- — CID 135674871

IUPAC2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(=O)[nH]c(O)c1C(=O)[O-]
InChIInChI=1S/C7H7NO4/c1-3-2-4(9)8-6(10)5(3)7(11)12/h2H,1H3,(H,11,12)(H2,8,9,10)/p-1
InChIKeyZZNZFBULEPJXCW-UHFFFAOYSA-M
MW168.13 g/mol
LogP-1.25
Rot. Bonds1

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

2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 135674871) has the molecular formula C7H6NO4- and a molecular weight of 168.13 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID135674871
Molecular FormulaC7H6NO4-
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(=O)[nH]c(O)c1C(=O)[O-]
InChIInChI=1S/C7H7NO4/c1-3-2-4(9)8-6(10)5(3)7(11)12/h2H,1H3,(H,11,12)(H2,8,9,10)/p-1
InChIKeyZZNZFBULEPJXCW-UHFFFAOYSA-M
XLogP-1.25
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate 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 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 135674871) is 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate is Cc1cc(=O)[nH]c(O)c1C(=O)[O-].
What is the InChIKey of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is ZZNZFBULEPJXCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO4/c1-3-2-4(9)8-6(10)5(3)7(11)12/h2H,1H3,(H,11,12)(H2,8,9,10)/p-1.
What are the key properties of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 168.13 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 135674871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).