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

C7H6ClF2NO — CID 130072340

IUPAC5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(C(F)F)[nH]cc(Cl)c1=O
InChIInChI=1S/C7H6ClF2NO/c1-3-5(7(9)10)11-2-4(8)6(3)12/h2,7H,1H3,(H,11,12)
InChIKeyNKNCLDMPLUXFGJ-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.27
Rot. Bonds1

About 5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one

5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one (PubChem CID 130072340) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one
PubChem CID130072340
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(C(F)F)[nH]cc(Cl)c1=O
InChIInChI=1S/C7H6ClF2NO/c1-3-5(7(9)10)11-2-4(8)6(3)12/h2,7H,1H3,(H,11,12)
InChIKeyNKNCLDMPLUXFGJ-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

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Related Compounds

2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one
CID 123807226
2-(Difluoromethyl)-4-hydroxy-5-iodo-3-methylpyridine
CID 118803849
2-(Bromomethyl)-3-chloro-5-(difluoromethyl)-4-hydroxypyridine
CID 118810009
2-(Difluoromethyl)-4-hydroxy-3-methylpyridine-5-carbonyl chloride
CID 118820980
2-(Difluoromethyl)-3-fluoro-4-hydroxypyridine-5-carbonyl chloride
CID 118832239
2-(Aminomethyl)-5-chloro-3-(difluoromethyl)-4-hydroxypyridine
CID 118837067
2-(Difluoromethyl)-4-hydroxy-5-methylpyridine-3-carbonyl chloride
CID 118837821
2-(Difluoromethyl)-5-fluoro-4-hydroxypyridine-3-carbonyl chloride
CID 118837878
5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130070944
5-chloro-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130070949
5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130070956
3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130071515

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
The IUPAC name of 5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one (CID 130072340) is 5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one is Cc1c(C(F)F)[nH]cc(Cl)c1=O.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
The InChIKey is NKNCLDMPLUXFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c1-3-5(7(9)10)11-2-4(8)6(3)12/h2,7H,1H3,(H,11,12).
What are the key properties of 5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
5-chloro-2-(difluoromethyl)-3-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 5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one is sourced from PubChem (CID 130072340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).