1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone

C14H9ClF3NO — CID 106971887

IUPAC1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C14H9ClF3NO/c15-13-10(6-7-12(19-13)14(16,17)18)11(20)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyPQIUMTSNBVQWNF-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.18
Rot. Bonds3

About 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone (PubChem CID 106971887) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone
PubChem CID106971887
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C14H9ClF3NO/c15-13-10(6-7-12(19-13)14(16,17)18)11(20)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyPQIUMTSNBVQWNF-UHFFFAOYSA-N
XLogP4.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-thiophen-3-ylethanone
CID 106971932
2-chloro-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53416731
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 157313543
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone
CID 146009822
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[2-(trifluoromethyl)-3-pyridinyl]butane-1,3-dione
CID 159877906
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
CID 106971550
ethyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 19791830
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-methoxypentan-1-one
CID 106971871
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(thian-4-yl)ethanone
CID 106971869
tert-butyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166524788

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone (CID 106971887) is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone?
The InChIKey is PQIUMTSNBVQWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-13-10(6-7-12(19-13)14(16,17)18)11(20)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone?
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone has a molecular weight of 299.68 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone is sourced from PubChem (CID 106971887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).