6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one

C7H5ClF3NO — CID 118809859

IUPAC6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(F)c(CCl)[nH]1
InChIInChI=1S/C7H5ClF3NO/c8-2-4-6(9)3(7(10)11)1-5(13)12-4/h1,7H,2H2,(H,12,13)
InChIKeyOEPZFIHGERQXOW-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.19
Rot. Bonds2

About 6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one

6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (PubChem CID 118809859) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
PubChem CID118809859
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(F)c(CCl)[nH]1
InChIInChI=1S/C7H5ClF3NO/c8-2-4-6(9)3(7(10)11)1-5(13)12-4/h1,7H,2H2,(H,12,13)
InChIKeyOEPZFIHGERQXOW-UHFFFAOYSA-N
XLogP2.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.19
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

6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one
CID 10081320
2-(Difluoromethyl)-6-hydroxy-4-methylpyridine
CID 10103416
1-(chloromethyl)-6-fluoro-2H-isoquinolin-3-one
CID 12399270
4-Chloromethyl-2-hydroxy-6-(trifluoromethyl)pyridine
CID 72212916
3-Chloromethyl-6-hydroxy-2-(trifluoromethyl)pyridine
CID 118704210
2-(Chloromethyl)-3-(difluoromethyl)-6-hydroxy-5-methylpyridine
CID 118804304
2-(Chloromethyl)-4-(difluoromethyl)-6-hydroxypyridine-3-carboxaldehyde
CID 118804349
2-(Chloromethyl)-3-(difluoromethyl)-6-hydroxy-5-(trifluoromethyl)pyridine
CID 118804597
4-(Difluoromethyl)-6-methylpyridin-2-ol
CID 118806270
4-(Difluoromethyl)-5-fluoro-6-methylpyridin-2-ol
CID 118806856

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (CID 118809859) is 6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is O=c1cc(C(F)F)c(F)c(CCl)[nH]1.
What is the InChIKey of 6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is OEPZFIHGERQXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-2-4-6(9)3(7(10)11)1-5(13)12-4/h1,7H,2H2,(H,12,13).
What are the key properties of 6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one has a molecular weight of 211.57 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 118809859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).