6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one

C8H8ClF2NO — CID 130083739

IUPAC6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]c(CCl)cc(=O)c1C(F)F
InChIInChI=1S/C8H8ClF2NO/c1-4-7(8(10)11)6(13)2-5(3-9)12-4/h2,8H,3H2,1H3,(H,12,13)
InChIKeyPQFKIGVALMAMLY-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.36
Rot. Bonds2

About 6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one

6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one (PubChem CID 130083739) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
PubChem CID130083739
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]c(CCl)cc(=O)c1C(F)F
InChIInChI=1S/C8H8ClF2NO/c1-4-7(8(10)11)6(13)2-5(3-9)12-4/h2,8H,3H2,1H3,(H,12,13)
InChIKeyPQFKIGVALMAMLY-UHFFFAOYSA-N
XLogP2.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(chloromethyl)-3-(difluoromethyl)-2-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

Related Compounds

6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085139
6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076657
5-(difluoromethyl)-4-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
CID 130083894
5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one
CID 130083640
6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076614
3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride
CID 130084067
4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130079504
2-bromo-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one
CID 130109271
6-(chloromethyl)-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 118843765
ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 134685670
2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one
CID 130072270
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130083780

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one (CID 130083739) is 6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one is Cc1[nH]c(CCl)cc(=O)c1C(F)F.
What is the InChIKey of 6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is PQFKIGVALMAMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-4-7(8(10)11)6(13)2-5(3-9)12-4/h2,8H,3H2,1H3,(H,12,13).
What are the key properties of 6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one?
6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 207.61 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 130083739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).