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

C8H8ClF2NO2 — CID 118809851

IUPAC2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(CCl)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H8ClF2NO2/c1-14-7-5(3-9)12-4(8(10)11)2-6(7)13/h2,8H,3H2,1H3,(H,12,13)
InChIKeyZOCLIPJMEAVUCW-UHFFFAOYSA-N
MW223.61 g/mol
LogP2.06
Rot. Bonds3

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

2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (PubChem CID 118809851) has the molecular formula C8H8ClF2NO2 and a molecular weight of 223.61 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
PubChem CID118809851
Molecular FormulaC8H8ClF2NO2
Molecular Weight223.61 g/mol
Exact Mass223.02
IUPAC Name2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(CCl)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H8ClF2NO2/c1-14-7-5(3-9)12-4(8(10)11)2-6(7)13/h2,8H,3H2,1H3,(H,12,13)
InChIKeyZOCLIPJMEAVUCW-UHFFFAOYSA-N
XLogP2.06
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

2-Ethyl-3-methoxy-6-(trifluoromethyl)pyridin-4-ol
CID 11658612
3-methoxy-2-methyl-6-(trifluoromethyl)-1H-pyridin-4-one
CID 101453260
2-(Difluoromethyl)-4-hydroxy-3-methoxy-6-methylpyridine
CID 118803497
2-(Chloromethyl)-6-(difluoromethyl)-4-hydroxy-3-(trifluoromethoxy)pyridine
CID 118804236
2-[6-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 118815653
2-(Difluoromethyl)-4-hydroxy-3-methoxypyridine-6-carbonyl chloride
CID 118826619
2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118832470
2-(Bromomethyl)-6-(difluoromethyl)-4-hydroxy-3-methoxypyridine
CID 118832799
2-(Difluoromethyl)-3,6-dimethoxy-4-hydroxypyridine
CID 118842972
2-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118849661
2-Chloro-6-(difluoromethyl)-3-methoxypyridin-4-ol
CID 119024505
6-(difluoromethyl)-3-methoxy-2-methyl-1H-pyridin-4-one
CID 130083117

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (CID 118809851) is 2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is COc1c(CCl)[nH]c(C(F)F)cc1=O.
What is the InChIKey of 2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The InChIKey is ZOCLIPJMEAVUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO2/c1-14-7-5(3-9)12-4(8(10)11)2-6(7)13/h2,8H,3H2,1H3,(H,12,13).
What are the key properties of 2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one has a molecular weight of 223.61 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 118809851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).