1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone

C15H12F3NO2 — CID 63841534

IUPAC1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCc1ccnc(C(=O)Cc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NO2/c1-10-6-7-19-13(8-10)14(20)9-11-2-4-12(5-3-11)21-15(16,17)18/h2-8H,9H2,1H3
InChIKeyOCXIFKPSGWJNFH-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.71
Rot. Bonds4

About 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone

1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 63841534) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID63841534
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCc1ccnc(C(=O)Cc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NO2/c1-10-6-7-19-13(8-10)14(20)9-11-2-4-12(5-3-11)21-15(16,17)18/h2-8H,9H2,1H3
InChIKeyOCXIFKPSGWJNFH-UHFFFAOYSA-N
XLogP3.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)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

2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220
2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 115736451
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate
CID 18542197
2-[4-(trifluoromethoxy)phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78884857
3-hydroxy-3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 103446073
1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79823558
2-oxo-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 16790000
1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 167849670
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 62622266
3-ethyl-3-hydroxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 103446982

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 63841534) is 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone is Cc1ccnc(C(=O)Cc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is OCXIFKPSGWJNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-10-6-7-19-13(8-10)14(20)9-11-2-4-12(5-3-11)21-15(16,17)18/h2-8H,9H2,1H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 295.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 63841534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).