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

C7H5ClF3NO — CID 130079504

IUPAC4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
SMILESO=c1cc(CCl)c(C(F)F)c(F)[nH]1
InChIInChI=1S/C7H5ClF3NO/c8-2-3-1-4(13)12-7(11)5(3)6(9)10/h1,6H,2H2,(H,12,13)
InChIKeyLRZQCCFAFVWYMJ-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.19
Rot. Bonds2

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

4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one (PubChem CID 130079504) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
PubChem CID130079504
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
SMILESO=c1cc(CCl)c(C(F)F)c(F)[nH]1
InChIInChI=1S/C7H5ClF3NO/c8-2-3-1-4(13)12-7(11)5(3)6(9)10/h1,6H,2H2,(H,12,13)
InChIKeyLRZQCCFAFVWYMJ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130085259
4-(chloromethyl)-5-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130084323
4-bromo-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130110266
5-(difluoromethyl)-4-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
CID 130083894
4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130079392
6-(chloromethyl)-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 118843765
4-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118823507
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082138
2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119024121
4-(chloromethyl)-5-fluoro-1H-pyridin-2-one
CID 118990056
methyl 2-[2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 134671753
6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 118808520

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one (CID 130079504) is 4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one is O=c1cc(CCl)c(C(F)F)c(F)[nH]1.
What is the InChIKey of 4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The InChIKey is LRZQCCFAFVWYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-2-3-1-4(13)12-7(11)5(3)6(9)10/h1,6H,2H2,(H,12,13).
What are the key properties of 4-(chloromethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
4-(chloromethyl)-5-(difluoromethyl)-6-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)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 130079504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).