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

C8H8ClF2NO2 — CID 130085139

IUPAC6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc(CCl)[nH]c(CO)c1C(F)F
InChIInChI=1S/C8H8ClF2NO2/c9-2-4-1-6(14)7(8(10)11)5(3-13)12-4/h1,8,13H,2-3H2,(H,12,14)
InChIKeyPVAZEZSSTXIEDF-UHFFFAOYSA-N
MW223.61 g/mol
LogP1.54
Rot. Bonds3

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

6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 130085139) has the molecular formula C8H8ClF2NO2 and a molecular weight of 223.61 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID130085139
Molecular FormulaC8H8ClF2NO2
Molecular Weight223.61 g/mol
Exact Mass223.02
IUPAC Name6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc(CCl)[nH]c(CO)c1C(F)F
InChIInChI=1S/C8H8ClF2NO2/c9-2-4-1-6(14)7(8(10)11)5(3-13)12-4/h1,8,13H,2-3H2,(H,12,14)
InChIKeyPVAZEZSSTXIEDF-UHFFFAOYSA-N
XLogP1.54
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-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-methyl-1H-pyridin-4-one
CID 130083739
6-(chloromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112451
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118849612
6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076657
5-(difluoromethyl)-4-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
CID 130083894
3-(difluoromethyl)-2-(hydroxymethyl)-5-methyl-1H-pyridin-4-one
CID 130083878
2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
CID 118819770
4-bromo-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130110266
6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076614
3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130084616
3-(chloromethyl)-5-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085159
6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 118808520

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one (CID 130085139) is 6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one is O=c1cc(CCl)[nH]c(CO)c1C(F)F.
What is the InChIKey of 6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is PVAZEZSSTXIEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO2/c9-2-4-1-6(14)7(8(10)11)5(3-13)12-4/h1,8,13H,2-3H2,(H,12,14).
What are the key properties of 6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 223.61 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130085139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).