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

C6H3ClF3NO — CID 130071521

IUPAC3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(C(F)F)c1Cl
InChIInChI=1S/C6H3ClF3NO/c7-4-3(5(9)10)2(8)1-11-6(4)12/h1,5H,(H,11,12)
InChIKeyUDFXUNVUUPEEAU-UHFFFAOYSA-N
MW197.54 g/mol
LogP2.11
Rot. Bonds1

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

3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (PubChem CID 130071521) has the molecular formula C6H3ClF3NO and a molecular weight of 197.54 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
PubChem CID130071521
Molecular FormulaC6H3ClF3NO
Molecular Weight197.54 g/mol
Exact Mass196.99
IUPAC Name3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(C(F)F)c1Cl
InChIInChI=1S/C6H3ClF3NO/c7-4-3(5(9)10)2(8)1-11-6(4)12/h1,5H,(H,11,12)
InChIKeyUDFXUNVUUPEEAU-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

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Related Compounds

3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 725436
5-Chloro-4-trifluoromethyl-pyridin-2-OL
CID 13851615
3,5-Dichloro-4-trifluoromethyl-pyridin-2-OL
CID 13851616
3-Chloro-2-hydroxy-4-(trifluoromethyl)pyridine
CID 53817088
4-amino-3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
CID 69883344
2-Hydroxy-3-chloro-4-methyl-5-trifluoromethylpyridine
CID 69883431
3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449841
3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one
CID 90765824
3-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one
CID 118912143
5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one
CID 150147770
5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 175992307
4-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine
CID 72212905

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (CID 130071521) is 3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is O=c1[nH]cc(F)c(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is UDFXUNVUUPEEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO/c7-4-3(5(9)10)2(8)1-11-6(4)12/h1,5H,(H,11,12).
What are the key properties of 3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-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 3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 130071521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).