3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one

C8H8ClF2NO — CID 130083779

IUPAC3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1cc(CCl)c(=O)[nH]c1C(F)F
InChIInChI=1S/C8H8ClF2NO/c1-4-2-5(3-9)8(13)12-6(4)7(10)11/h2,7H,3H2,1H3,(H,12,13)
InChIKeyDGZLCQIXHXLKGO-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.36
Rot. Bonds2

About 3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one

3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one (PubChem CID 130083779) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
PubChem CID130083779
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1cc(CCl)c(=O)[nH]c1C(F)F
InChIInChI=1S/C8H8ClF2NO/c1-4-2-5(3-9)8(13)12-6(4)7(10)11/h2,7H,3H2,1H3,(H,12,13)
InChIKeyDGZLCQIXHXLKGO-UHFFFAOYSA-N
XLogP2.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Chloromethyl)-6-fluoro-4-methyl-3(2H)-isoquinolinone
CID 12399272
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one
CID 123654562
N-[4-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2,2-dimethylpropanamide
CID 123658305
5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane
CID 143933051
4,6-Dimethyl-3-(trifluoromethyl)pyridin-2-ol
CID 165595065
4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 166536053
6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 169256225
4-methyl-6-propan-2-yl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 172141920
4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one;ethane
CID 172279065
4,5-dimethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 173378908

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one (CID 130083779) is 3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one is Cc1cc(CCl)c(=O)[nH]c1C(F)F.
What is the InChIKey of 3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The InChIKey is DGZLCQIXHXLKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-4-2-5(3-9)8(13)12-6(4)7(10)11/h2,7H,3H2,1H3,(H,12,13).
What are the key properties of 3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one has a molecular weight of 207.61 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130083779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).