4-methyl-6-oxo-3H-pyridine-3-carboxylic acid

C7H7NO3 — CID 85437621

IUPAC4-methyl-6-oxo-3H-pyridine-3-carboxylic acid
SMILESCC1=CC(=O)N=CC1C(=O)O
InChIInChI=1S/C7H7NO3/c1-4-2-6(9)8-3-5(4)7(10)11/h2-3,5H,1H3,(H,10,11)
InChIKeyTZLNUEBREKPIKM-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.24
Rot. Bonds1

About 4-methyl-6-oxo-3H-pyridine-3-carboxylic acid

4-methyl-6-oxo-3H-pyridine-3-carboxylic acid (PubChem CID 85437621) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-methyl-6-oxo-3H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-oxo-3H-pyridine-3-carboxylic acid
PubChem CID85437621
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name4-methyl-6-oxo-3H-pyridine-3-carboxylic acid
SMILESCC1=CC(=O)N=CC1C(=O)O
InChIInChI=1S/C7H7NO3/c1-4-2-6(9)8-3-5(4)7(10)11/h2-3,5H,1H3,(H,10,11)
InChIKeyTZLNUEBREKPIKM-UHFFFAOYSA-N
XLogP0.24
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxo-3H-pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-6-oxo-3H-pyridine-3-carboxylic acid (CID 85437621) is 4-methyl-6-oxo-3H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-6-oxo-3H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-6-oxo-3H-pyridine-3-carboxylic acid is CC1=CC(=O)N=CC1C(=O)O.
What is the InChIKey of 4-methyl-6-oxo-3H-pyridine-3-carboxylic acid?
The InChIKey is TZLNUEBREKPIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4-2-6(9)8-3-5(4)7(10)11/h2-3,5H,1H3,(H,10,11).
What are the key properties of 4-methyl-6-oxo-3H-pyridine-3-carboxylic acid?
4-methyl-6-oxo-3H-pyridine-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-oxo-3H-pyridine-3-carboxylic acid is sourced from PubChem (CID 85437621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).