3,5-difluoro-6-methyl-1H-pyridin-2-one

C6H5F2NO — CID 20602953

IUPAC3,5-difluoro-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(F)cc1F
InChIInChI=1S/C6H5F2NO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)
InChIKeyIQKCABGCMPFJGL-UHFFFAOYSA-N
MW145.11 g/mol
LogP0.96
Rot. Bonds

About 3,5-difluoro-6-methyl-1H-pyridin-2-one

3,5-difluoro-6-methyl-1H-pyridin-2-one (PubChem CID 20602953) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is 3,5-difluoro-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-difluoro-6-methyl-1H-pyridin-2-one
PubChem CID20602953
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC Name3,5-difluoro-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(F)cc1F
InChIInChI=1S/C6H5F2NO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)
InChIKeyIQKCABGCMPFJGL-UHFFFAOYSA-N
XLogP0.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-difluoro-6-methyl-1H-pyridin-2-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 3,5-difluoro-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3,5-difluoro-6-methyl-1H-pyridin-2-one (CID 20602953) is 3,5-difluoro-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3,5-difluoro-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3,5-difluoro-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-6-methyl-1H-pyridin-2-one?
The InChIKey is IQKCABGCMPFJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10).
What are the key properties of 3,5-difluoro-6-methyl-1H-pyridin-2-one?
3,5-difluoro-6-methyl-1H-pyridin-2-one has a molecular weight of 145.11 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 20602953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).