1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone

C15H12F3NO — CID 114971487

IUPAC1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H12F3NO/c1-10-2-5-12(9-19-10)14(20)8-11-3-6-13(7-4-11)15(16,17)18/h2-7,9H,8H2,1H3
InChIKeyWPTYPHYLJPBACL-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.83
Rot. Bonds3

About 1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone

1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 114971487) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID114971487
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H12F3NO/c1-10-2-5-12(9-19-10)14(20)8-11-3-6-13(7-4-11)15(16,17)18/h2-7,9H,8H2,1H3
InChIKeyWPTYPHYLJPBACL-UHFFFAOYSA-N
XLogP3.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone 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-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 105093000
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116550965
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 24723939
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 154014777
(2E,4Z)-5-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87598688
5-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91172090
1-(6-chloro-3-pyridinyl)-4-(6-methyl-3-pyridinyl)butane-1,4-dione
CID 90363391
2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone
CID 63927685
2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115779676

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 114971487) is 1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is WPTYPHYLJPBACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-10-2-5-12(9-19-10)14(20)8-11-3-6-13(7-4-11)15(16,17)18/h2-7,9H,8H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 279.26 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 114971487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).