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

C6H3ClF3NO — CID 130071515

IUPAC3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]c(C(F)F)c1Cl
InChIInChI=1S/C6H3ClF3NO/c7-3-4(6(9)10)11-1-2(8)5(3)12/h1,6H,(H,11,12)
InChIKeyZVMHRZZYCHBIOQ-UHFFFAOYSA-N
MW197.54 g/mol
LogP2.11
Rot. Bonds1

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

3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one (PubChem CID 130071515) has the molecular formula C6H3ClF3NO and a molecular weight of 197.54 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
PubChem CID130071515
Molecular FormulaC6H3ClF3NO
Molecular Weight197.54 g/mol
Exact Mass196.99
IUPAC Name3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]c(C(F)F)c1Cl
InChIInChI=1S/C6H3ClF3NO/c7-3-4(6(9)10)11-1-2(8)5(3)12/h1,6H,(H,11,12)
InChIKeyZVMHRZZYCHBIOQ-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 3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one?
The IUPAC name of 3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one (CID 130071515) is 3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one is O=c1c(F)c[nH]c(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one?
The InChIKey is ZVMHRZZYCHBIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO/c7-3-4(6(9)10)11-1-2(8)5(3)12/h1,6H,(H,11,12).
What are the key properties of 3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one?
3-chloro-2-(difluoromethyl)-5-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 3-chloro-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 130071515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).