3-methyl-1H-pyridin-4-one

C6H7NO — CID 2762918

IUPAC3-methyl-1H-pyridin-4-one
SMILESCc1c[nH]ccc1=O
InChIInChI=1S/C6H7NO/c1-5-4-7-3-2-6(5)8/h2-4H,1H3,(H,7,8)
InChIKeyRZUBLMCZJPIOPF-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.68
Rot. Bonds

About 3-methyl-1H-pyridin-4-one

3-methyl-1H-pyridin-4-one (PubChem CID 2762918) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 3-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-methyl-1H-pyridin-4-one
PubChem CID2762918
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name3-methyl-1H-pyridin-4-one
SMILESCc1c[nH]ccc1=O
InChIInChI=1S/C6H7NO/c1-5-4-7-3-2-6(5)8/h2-4H,1H3,(H,7,8)
InChIKeyRZUBLMCZJPIOPF-UHFFFAOYSA-N
XLogP0.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1H-pyridin-4-one 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 3-methyl-1H-pyridin-4-one?
The IUPAC name of 3-methyl-1H-pyridin-4-one (CID 2762918) is 3-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-methyl-1H-pyridin-4-one is Cc1c[nH]ccc1=O.
What is the InChIKey of 3-methyl-1H-pyridin-4-one?
The InChIKey is RZUBLMCZJPIOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-5-4-7-3-2-6(5)8/h2-4H,1H3,(H,7,8).
What are the key properties of 3-methyl-1H-pyridin-4-one?
3-methyl-1H-pyridin-4-one has a molecular weight of 109.13 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyridin-4-one is sourced from PubChem (CID 2762918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).