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

C7H3ClF5NO — CID 130072540

IUPAC4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)cc(Cl)c1C(F)(F)F
InChIInChI=1S/C7H3ClF5NO/c8-2-1-3(5(9)10)14-6(15)4(2)7(11,12)13/h1,5H,(H,14,15)
InChIKeyWGCABOZWAJZSGC-UHFFFAOYSA-N
MW247.55 g/mol
LogP2.98
Rot. Bonds1

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

4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130072540) has the molecular formula C7H3ClF5NO and a molecular weight of 247.55 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130072540
Molecular FormulaC7H3ClF5NO
Molecular Weight247.55 g/mol
Exact Mass246.98
IUPAC Name4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)cc(Cl)c1C(F)(F)F
InChIInChI=1S/C7H3ClF5NO/c8-2-1-3(5(9)10)14-6(15)4(2)7(11,12)13/h1,5H,(H,14,15)
InChIKeyWGCABOZWAJZSGC-UHFFFAOYSA-N
XLogP2.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.55
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one (CID 130072540) is 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)F)cc(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WGCABOZWAJZSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF5NO/c8-2-1-3(5(9)10)14-6(15)4(2)7(11,12)13/h1,5H,(H,14,15).
What are the key properties of 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 247.55 g/mol, XLogP of 2.98, 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)-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130072540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).