2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one

C6H3ClF3NO — CID 119003697

IUPAC2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Cl)c1F
InChIInChI=1S/C6H3ClF3NO/c7-5-4(8)3(12)1-2(11-5)6(9)10/h1,6H,(H,11,12)
InChIKeyPRDYYFYXJTUYHY-UHFFFAOYSA-N
MW197.54 g/mol
LogP2.11
Rot. Bonds1

About 2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one

2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one (PubChem CID 119003697) has the molecular formula C6H3ClF3NO and a molecular weight of 197.54 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
PubChem CID119003697
Molecular FormulaC6H3ClF3NO
Molecular Weight197.54 g/mol
Exact Mass196.99
IUPAC Name2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Cl)c1F
InChIInChI=1S/C6H3ClF3NO/c7-5-4(8)3(12)1-2(11-5)6(9)10/h1,6H,(H,11,12)
InChIKeyPRDYYFYXJTUYHY-UHFFFAOYSA-N
XLogP2.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.54
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-Bis(trifluoromethyl)-4-pyridinol
CID 595786
2-Chloro-6-(trifluoromethyl)pyridin-4-ol
CID 73554452
6-chloro-3-fluoro-2-methyl-1H-pyridin-4-one
CID 176341461
3-chloro-6-fluoro-2-methyl-1H-pyridin-4-one
CID 176341489
6-chloro-3-fluoro-2-(trifluoromethyl)-1H-pyridin-4-one
CID 178769153
2-Fluoro-6-methylpyridin-4-ol
CID 53485196
2-(Chloromethyl)-6-fluoropyridin-4-OL
CID 72215131
2-(Chloromethyl)-6-(trifluoromethyl)pyridin-4-OL
CID 72215195
2-Methyl-6-trifluoromethyl-pyridin-4-ol
CID 91926585
2-Fluoro-4-hydroxy-6-(trifluoromethyl)pyridine
CID 118704284
2,3-Dichloro-6-(difluoromethyl)-4-hydroxypyridine
CID 118803937
2-(Chloromethyl)-6-(difluoromethyl)-4-hydroxy-3-iodopyridine
CID 118826908

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The IUPAC name of 2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one (CID 119003697) is 2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c(Cl)c1F.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The InChIKey is PRDYYFYXJTUYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO/c7-5-4(8)3(12)1-2(11-5)6(9)10/h1,6H,(H,11,12).
What are the key properties of 2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one has a molecular weight of 197.54 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 119003697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).