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

C7H7NO3 — CID 71299974

IUPAC6-methyl-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(=O)cc(C(=O)O)[nH]1
InChIInChI=1S/C7H7NO3/c1-4-2-5(9)3-6(8-4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyRCHIJLLIDLGLOW-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.38
Rot. Bonds1

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

6-methyl-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 71299974) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-methyl-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID71299974
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name6-methyl-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(=O)cc(C(=O)O)[nH]1
InChIInChI=1S/C7H7NO3/c1-4-2-5(9)3-6(8-4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyRCHIJLLIDLGLOW-UHFFFAOYSA-N
XLogP0.38
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-1H-pyridine-2-carboxylic acid (CID 71299974) is 6-methyl-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-1H-pyridine-2-carboxylic acid is Cc1cc(=O)cc(C(=O)O)[nH]1.
What is the InChIKey of 6-methyl-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is RCHIJLLIDLGLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4-2-5(9)3-6(8-4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11).
What are the key properties of 6-methyl-4-oxo-1H-pyridine-2-carboxylic acid?
6-methyl-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 71299974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).