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

C7H6ClF2NO — CID 130072325

IUPAC5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(C(F)F)c1Cl
InChIInChI=1S/C7H6ClF2NO/c1-3-6(8)4(7(9)10)2-5(12)11-3/h2,7H,1H3,(H,11,12)
InChIKeyUFQJZEUPLPSVSK-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.27
Rot. Bonds1

About 5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one

5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one (PubChem CID 130072325) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
PubChem CID130072325
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(C(F)F)c1Cl
InChIInChI=1S/C7H6ClF2NO/c1-3-6(8)4(7(9)10)2-5(12)11-3/h2,7H,1H3,(H,11,12)
InChIKeyUFQJZEUPLPSVSK-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

3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130072565
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773
2-[4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118834226
6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 130110088
6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118808535
5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one
CID 130083640
4,5-dichloro-6-(difluoromethyl)-1H-pyridin-2-one
CID 130099225
5-(difluoromethyl)-4-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
CID 130083894
5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110248
4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one
CID 118812764
4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride
CID 133103271

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one (CID 130072325) is 5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)cc(C(F)F)c1Cl.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is UFQJZEUPLPSVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c1-3-6(8)4(7(9)10)2-5(12)11-3/h2,7H,1H3,(H,11,12).
What are the key properties of 5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one?
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-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-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130072325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).