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

C6H3ClF3NO — CID 18988867

IUPAC5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C6H3ClF3NO/c7-3-1-4(6(8,9)10)5(12)11-2-3/h1-2H,(H,11,12)
InChIKeyZHDJWTAHGYSQQV-UHFFFAOYSA-N
MW197.54 g/mol
LogP2.05
Rot. Bonds

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

5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 18988867) has the molecular formula C6H3ClF3NO and a molecular weight of 197.54 g/mol. Its IUPAC name is 5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID18988867
Molecular FormulaC6H3ClF3NO
Molecular Weight197.54 g/mol
Exact Mass196.99
IUPAC Name5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C6H3ClF3NO/c7-3-1-4(6(8,9)10)5(12)11-2-3/h1-2H,(H,11,12)
InChIKeyZHDJWTAHGYSQQV-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one (CID 18988867) is 5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ZHDJWTAHGYSQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO/c7-3-1-4(6(8,9)10)5(12)11-2-3/h1-2H,(H,11,12).
What are the key properties of 5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one?
5-chloro-3-(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 5-chloro-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 18988867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).