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

C6H3ClF3NO — CID 118703917

IUPAC3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1Cl
InChIInChI=1S/C6H3ClF3NO/c7-3-1-2-4(6(8,9)10)11-5(3)12/h1-2H,(H,11,12)
InChIKeyOLIPVZGYZLRBMN-UHFFFAOYSA-N
MW197.54 g/mol
LogP2.05
Rot. Bonds

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

3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118703917) has the molecular formula C6H3ClF3NO and a molecular weight of 197.54 g/mol. Its IUPAC name is 3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118703917
Molecular FormulaC6H3ClF3NO
Molecular Weight197.54 g/mol
Exact Mass196.99
IUPAC Name3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1Cl
InChIInChI=1S/C6H3ClF3NO/c7-3-1-2-4(6(8,9)10)11-5(3)12/h1-2H,(H,11,12)
InChIKeyOLIPVZGYZLRBMN-UHFFFAOYSA-N
XLogP2.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.54
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Chloro-6-(trifluoromethyl)pyridin-2-ol
CID 72183134
6-[chloro(difluoro)methyl]-1H-pyridin-2-one
CID 10261690
5-chloro-3-iodo-6-(trifluoromethyl)pyridin-2(1H)-one
CID 67121042
4-Chloro-2-hydroxy-6-(trifluoromethyl)pyridine
CID 72212567
3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one
CID 105466323
3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one
CID 112547290
3-Fluoro-2-hydroxy-6-(trifluoromethyl)pyridine
CID 118703923
4-Chloro-6-(difluoromethyl)-5-fluoropyridin-2-ol
CID 118834009
4-Amino-5-chloro-6-(difluoromethyl)pyridin-2-ol
CID 118845892
5-chloro-6-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
CID 130071514
5-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
CID 130071516
4-chloro-6-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
CID 130071533

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one (CID 118703917) is 3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)ccc1Cl.
What is the InChIKey of 3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is OLIPVZGYZLRBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO/c7-3-1-2-4(6(8,9)10)11-5(3)12/h1-2H,(H,11,12).
What are the key properties of 3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one?
3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 197.54 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118703917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).