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

C7H3ClF5NO — CID 118839340

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

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

4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118839340) has the molecular formula C7H3ClF5NO and a molecular weight of 247.55 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118839340
Molecular FormulaC7H3ClF5NO
Molecular Weight247.55 g/mol
Exact Mass246.98
IUPAC Name4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C7H3ClF5NO/c8-4-2(7(11,12)13)1-14-6(15)3(4)5(9)10/h1,5H,(H,14,15)
InChIKeyYINRVGDPQQXCHF-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

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Related Compounds

3,5-Bis(trifluoromethyl)pyridin-2-ol
CID 14148750
5-[chloro(difluoro)methyl]-1H-pyridin-2-one
CID 2315451
5-Chloro-4-trifluoromethyl-pyridin-2-OL
CID 13851615
3,5-Dichloro-4-trifluoromethyl-pyridin-2-OL
CID 13851616
4,5-Bis(trifluoromethyl)pyridin-2(1H)-one
CID 13851617
2-Hydroxy-3-fluoro-4-methyl-5-trifluoromethylpyridine
CID 69882705
2-Hydroxy-3-chloro-4-methyl-5-trifluoromethylpyridine
CID 69883431
3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one
CID 90765824
2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 171547710
4-methyl-3,5-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173378834
3,4,5-tris(trifluoromethyl)-1H-pyridin-2-one
CID 173378866
5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173378958

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 118839340) is 4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)c(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is YINRVGDPQQXCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF5NO/c8-4-2(7(11,12)13)1-14-6(15)3(4)5(9)10/h1,5H,(H,14,15).
What are the key properties of 4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
4-chloro-3-(difluoromethyl)-5-(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-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118839340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).