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

C7H7NO3 — CID 820395

IUPAC4-methyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)[nH]c(=O)c1
InChIInChI=1S/C7H7NO3/c1-4-2-5(7(10)11)8-6(9)3-4/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyNRQBFLPXQKUYNO-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.38
Rot. Bonds1

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

4-methyl-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 820395) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-methyl-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID820395
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name4-methyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)[nH]c(=O)c1
InChIInChI=1S/C7H7NO3/c1-4-2-5(7(10)11)8-6(9)3-4/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyNRQBFLPXQKUYNO-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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Related Compounds

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CID 242721
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2-(3-Methyl-but-2-enoylamino)-but-2-enoic acid
CID 44267653
6-Hydroxyquinolinic acid
CID 348131
Acetyldehydroleucine
CID 5363547
6-Hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 72215673
4-Amino-6-hydroxypyridine-2-carboxylic acid
CID 72215675
Corallorazine C
CID 102362358
2-Pentenoic acid, 2-(acetylamino)-4-methyl-, (Z)-
CID 538152
6-Hydroxylutidinic acid
CID 11412755
Oxoisoquinolinecarboxylic
CID 22923892

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-methyl-6-oxo-1H-pyridine-2-carboxylic acid (CID 820395) is 4-methyl-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-methyl-6-oxo-1H-pyridine-2-carboxylic acid is Cc1cc(C(=O)O)[nH]c(=O)c1.
What is the InChIKey of 4-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is NRQBFLPXQKUYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4-2-5(7(10)11)8-6(9)3-4/h2-3H,1H3,(H,8,9)(H,10,11).
What are the key properties of 4-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
4-methyl-6-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 4-methyl-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 820395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).