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

C6H3ClF3NO — CID 13491778

IUPAC6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)c(Cl)[nH]1
InChIInChI=1S/C6H3ClF3NO/c7-5-3(6(8,9)10)1-2-4(12)11-5/h1-2H,(H,11,12)
InChIKeyZPBMRUGPARPEBB-UHFFFAOYSA-N
MW197.54 g/mol
LogP2.05
Rot. Bonds

About 6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one

6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 13491778) has the molecular formula C6H3ClF3NO and a molecular weight of 197.54 g/mol. Its IUPAC name is 6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID13491778
Molecular FormulaC6H3ClF3NO
Molecular Weight197.54 g/mol
Exact Mass196.99
IUPAC Name6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)c(Cl)[nH]1
InChIInChI=1S/C6H3ClF3NO/c7-5-3(6(8,9)10)1-2-4(12)11-5/h1-2H,(H,11,12)
InChIKeyZPBMRUGPARPEBB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-5-(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 6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one (CID 13491778) is 6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1ccc(C(F)(F)F)c(Cl)[nH]1.
What is the InChIKey of 6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ZPBMRUGPARPEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO/c7-5-3(6(8,9)10)1-2-4(12)11-5/h1-2H,(H,11,12).
What are the key properties of 6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one?
6-chloro-5-(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 6-chloro-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 13491778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).