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

C6H3ClF3NO — CID 118834009

IUPAC4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1cc(Cl)c(F)c(C(F)F)[nH]1
InChIInChI=1S/C6H3ClF3NO/c7-2-1-3(12)11-5(4(2)8)6(9)10/h1,6H,(H,11,12)
InChIKeyBSBCHUZLWDUBBA-UHFFFAOYSA-N
MW197.54 g/mol
LogP2.11
Rot. Bonds1

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

4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (PubChem CID 118834009) has the molecular formula C6H3ClF3NO and a molecular weight of 197.54 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
PubChem CID118834009
Molecular FormulaC6H3ClF3NO
Molecular Weight197.54 g/mol
Exact Mass196.99
IUPAC Name4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1cc(Cl)c(F)c(C(F)F)[nH]1
InChIInChI=1S/C6H3ClF3NO/c7-2-1-3(12)11-5(4(2)8)6(9)10/h1,6H,(H,11,12)
InChIKeyBSBCHUZLWDUBBA-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 4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (CID 118834009) is 4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is O=c1cc(Cl)c(F)c(C(F)F)[nH]1.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is BSBCHUZLWDUBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO/c7-2-1-3(12)11-5(4(2)8)6(9)10/h1,6H,(H,11,12).
What are the key properties of 4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
4-chloro-6-(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 4-chloro-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 118834009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).