6-[chloro(difluoro)methyl]-1H-pyridin-2-one

C6H4ClF2NO — CID 10261690

IUPAC6-[chloro(difluoro)methyl]-1H-pyridin-2-one
SMILESO=c1cccc(C(F)(F)Cl)[nH]1
InChIInChI=1S/C6H4ClF2NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
InChIKeyGQSXTPMUMZHPDJ-UHFFFAOYSA-N
MW179.55 g/mol
LogP1.66
Rot. Bonds1

About 6-[chloro(difluoro)methyl]-1H-pyridin-2-one

6-[chloro(difluoro)methyl]-1H-pyridin-2-one (PubChem CID 10261690) has the molecular formula C6H4ClF2NO and a molecular weight of 179.55 g/mol. Its IUPAC name is 6-[chloro(difluoro)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[chloro(difluoro)methyl]-1H-pyridin-2-one
PubChem CID10261690
Molecular FormulaC6H4ClF2NO
Molecular Weight179.55 g/mol
Exact Mass178.99
IUPAC Name6-[chloro(difluoro)methyl]-1H-pyridin-2-one
SMILESO=c1cccc(C(F)(F)Cl)[nH]1
InChIInChI=1S/C6H4ClF2NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
InChIKeyGQSXTPMUMZHPDJ-UHFFFAOYSA-N
XLogP1.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.55
LogP ≤ 51.66
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

2(1H)-Pyridinone, 6-(trifluoromethyl)-
CID 10154195
5-Chloro-6-(trifluoromethyl)pyridin-2-ol
CID 72183134
6-(Difluoromethyl)pyridin-2(1H)-one
CID 10441812
2(1H)-Pyridinone, 6-(fluoromethyl)-
CID 10464359
6-[(difluoro-lambda3-chloranyl)methyl]-1H-pyridin-2-one
CID 59928342
CID 69343431
CID 69343431
5-Amino-6-(trifluoromethyl)pyridin-2-ol
CID 82599644
3-Chloro-2-hydroxy-6-(trifluoromethyl)pyridine
CID 118703917
ethane;6-(trifluoromethyl)-1H-pyridin-2-one
CID 143740780
fluoromethane;6-(trifluoromethyl)-1H-pyridin-2-one
CID 143740800
propane;6-(trifluoromethyl)-1H-pyridin-2-one
CID 159766661
potassium;hydride;6-(trifluoromethyl)-1H-pyridin-2-one
CID 173162064

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[chloro(difluoro)methyl]-1H-pyridin-2-one (CID 10261690) is 6-[chloro(difluoro)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[chloro(difluoro)methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[chloro(difluoro)methyl]-1H-pyridin-2-one is O=c1cccc(C(F)(F)Cl)[nH]1.
What is the InChIKey of 6-[chloro(difluoro)methyl]-1H-pyridin-2-one?
The InChIKey is GQSXTPMUMZHPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11).
What are the key properties of 6-[chloro(difluoro)methyl]-1H-pyridin-2-one?
6-[chloro(difluoro)methyl]-1H-pyridin-2-one has a molecular weight of 179.55 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 10261690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).