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

C7H6ClF2NO — CID 118995429

IUPAC2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(F)F)c(Cl)[nH]1
InChIInChI=1S/C7H6ClF2NO/c1-3-2-4(12)5(7(9)10)6(8)11-3/h2,7H,1H3,(H,11,12)
InChIKeyLBQFEXDIRPQIHN-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.27
Rot. Bonds1

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

2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one (PubChem CID 118995429) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one
PubChem CID118995429
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(F)F)c(Cl)[nH]1
InChIInChI=1S/C7H6ClF2NO/c1-3-2-4(12)5(7(9)10)6(8)11-3/h2,7H,1H3,(H,11,12)
InChIKeyLBQFEXDIRPQIHN-UHFFFAOYSA-N
XLogP2.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one
CID 11217738
6-chloro-3-fluoro-2-methyl-1H-pyridin-4-one
CID 176341461
2-(Chloromethyl)-6-(difluoromethyl)-4-hydroxy-3-methylpyridine
CID 118815684
2-(Chloromethyl)-3-(difluoromethyl)-4-hydroxy-6-iodopyridine
CID 118821366
2-(Difluoromethyl)-4-hydroxy-3-methyl-6-(trifluoromethyl)pyridine
CID 118825989
2-(Difluoromethyl)-4-hydroxy-6-methylpyridine-3-carbonyl chloride
CID 118826582
2-(Bromomethyl)-6-chloro-3-(difluoromethyl)-4-hydroxypyridine
CID 118827088
2-(Chloromethyl)-3-(difluoromethyl)-4-hydroxy-6-methylpyridine
CID 118838125
2-(Difluoromethyl)-4-hydroxy-6-iodo-3-methylpyridine
CID 118848758
2-(Chloromethyl)-3-(difluoromethyl)-4-hydroxy-6-(trifluoromethyl)pyridine
CID 118855185
2-Amino-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-ol
CID 118990951
2-(6-Chloro-5-(difluoromethyl)-4-hydroxypyridin-2-yl)acetonitrile
CID 118991390

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one (CID 118995429) is 2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(F)F)c(Cl)[nH]1.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one?
The InChIKey is LBQFEXDIRPQIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c1-3-2-4(12)5(7(9)10)6(8)11-3/h2,7H,1H3,(H,11,12).
What are the key properties of 2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one?
2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one has a molecular weight of 193.58 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 118995429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).