4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one

C7H5ClF3NO — CID 118852361

IUPAC4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(CCl)c1C(F)F
InChIInChI=1S/C7H5ClF3NO/c8-1-3-4(9)2-12-7(13)5(3)6(10)11/h2,6H,1H2,(H,12,13)
InChIKeyXKYCUITZTYFQIP-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.19
Rot. Bonds2

About 4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one

4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (PubChem CID 118852361) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
PubChem CID118852361
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(CCl)c1C(F)F
InChIInChI=1S/C7H5ClF3NO/c8-1-3-4(9)2-12-7(13)5(3)6(10)11/h2,6H,1H2,(H,12,13)
InChIKeyXKYCUITZTYFQIP-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

5-Chloro-4-trifluoromethyl-pyridin-2-OL
CID 13851615
3,5-Dichloro-4-trifluoromethyl-pyridin-2-OL
CID 13851616
4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one
CID 19791179
5-chloro-3-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449844
5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one
CID 150147770
3-Chloromethyl-2-hydroxy-4-(trifluoromethyl)pyridine
CID 118704208
3-Chloromethyl-2-hydroxy-5-(trifluoromethyl)pyridine
CID 118704209
4-Chloromethyl-2-hydroxy-3-(trifluoromethyl)pyridine
CID 118704211
4-Chloromethyl-2-hydroxy-5-(trifluoromethyl)pyridine
CID 118704212
4-Chloro-5-(difluoromethyl)-3-fluoropyridin-2-ol
CID 118805605
4-(Difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridin-2-ol
CID 118812794
4-Chloro-3-(difluoromethyl)-5-fluoropyridin-2-ol
CID 118816780

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (CID 118852361) is 4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is O=c1[nH]cc(F)c(CCl)c1C(F)F.
What is the InChIKey of 4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is XKYCUITZTYFQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-1-3-4(9)2-12-7(13)5(3)6(10)11/h2,6H,1H2,(H,12,13).
What are the key properties of 4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
4-(chloromethyl)-3-(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 4-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 118852361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).