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

C6H3ClF3NO — CID 53482103

IUPAC3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one
SMILESO=C1N=CC(C(F)(F)F)=CC1Cl
InChIInChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2,4H
InChIKeyVYXURPHQEVENDH-UHFFFAOYSA-N
MW197.54 g/mol
LogP1.69
Rot. Bonds

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

3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one (PubChem CID 53482103) has the molecular formula C6H3ClF3NO and a molecular weight of 197.54 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one
PubChem CID53482103
Molecular FormulaC6H3ClF3NO
Molecular Weight197.54 g/mol
Exact Mass196.99
IUPAC Name3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one
SMILESO=C1N=CC(C(F)(F)F)=CC1Cl
InChIInChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2,4H
InChIKeyVYXURPHQEVENDH-UHFFFAOYSA-N
XLogP1.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.54
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one (CID 53482103) is 3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one is O=C1N=CC(C(F)(F)F)=CC1Cl.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one?
The InChIKey is VYXURPHQEVENDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2,4H.
What are the key properties of 3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one?
3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one has a molecular weight of 197.54 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one is sourced from PubChem (CID 53482103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).