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

C6H3ClF3NO — CID 130071516

IUPAC5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)c(Cl)cc1F
InChIInChI=1S/C6H3ClF3NO/c7-2-1-3(8)6(12)11-4(2)5(9)10/h1,5H,(H,11,12)
InChIKeyCDCMUOCNCYAWSK-UHFFFAOYSA-N
MW197.54 g/mol
LogP2.11
Rot. Bonds1

About 5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one

5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one (PubChem CID 130071516) has the molecular formula C6H3ClF3NO and a molecular weight of 197.54 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
PubChem CID130071516
Molecular FormulaC6H3ClF3NO
Molecular Weight197.54 g/mol
Exact Mass196.99
IUPAC Name5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)c(Cl)cc1F
InChIInChI=1S/C6H3ClF3NO/c7-2-1-3(8)6(12)11-4(2)5(9)10/h1,5H,(H,11,12)
InChIKeyCDCMUOCNCYAWSK-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one (CID 130071516) is 5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one is O=c1[nH]c(C(F)F)c(Cl)cc1F.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The InChIKey is CDCMUOCNCYAWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO/c7-2-1-3(8)6(12)11-4(2)5(9)10/h1,5H,(H,11,12).
What are the key properties of 5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
5-chloro-6-(difluoromethyl)-3-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 5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 130071516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).