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

C7H7NO4 — CID 130407765

IUPAC5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid
SMILESCC1=NC(C(=O)O)=C(O)C(=O)C1
InChIInChI=1S/C7H7NO4/c1-3-2-4(9)6(10)5(8-3)7(11)12/h10H,2H2,1H3,(H,11,12)
InChIKeySMCNKLCYQXVNEN-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.27
Rot. Bonds1

About 5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid

5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid (PubChem CID 130407765) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid
PubChem CID130407765
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid
SMILESCC1=NC(C(=O)O)=C(O)C(=O)C1
InChIInChI=1S/C7H7NO4/c1-3-2-4(9)6(10)5(8-3)7(11)12/h10H,2H2,1H3,(H,11,12)
InChIKeySMCNKLCYQXVNEN-UHFFFAOYSA-N
XLogP0.27
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid?
The IUPAC name of 5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid (CID 130407765) is 5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid is CC1=NC(C(=O)O)=C(O)C(=O)C1.
What is the InChIKey of 5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid?
The InChIKey is SMCNKLCYQXVNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-3-2-4(9)6(10)5(8-3)7(11)12/h10H,2H2,1H3,(H,11,12).
What are the key properties of 5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid?
5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid is sourced from PubChem (CID 130407765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).