[3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone

C13H7F4NO2 — CID 118814239

IUPAC[3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1cc(F)cc(OC(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C13H7F4NO2/c14-9-5-8(6-10(7-9)20-13(15,16)17)12(19)11-3-1-2-4-18-11/h1-7H
InChIKeyBJNKUYACPYOIRJ-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.35
Rot. Bonds3

About [3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone

[3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone (PubChem CID 118814239) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is [3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
PubChem CID118814239
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name[3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1cc(F)cc(OC(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C13H7F4NO2/c14-9-5-8(6-10(7-9)20-13(15,16)17)12(19)11-3-1-2-4-18-11/h1-7H
InChIKeyBJNKUYACPYOIRJ-UHFFFAOYSA-N
XLogP3.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone 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

[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847893
[3-amino-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802654
(3-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 118819424
[4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118814135
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118853780
(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
CID 3015591
(4-fluorobenzoyl) pyridine-2-carboxylate
CID 154414835
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
(3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723476
3-(pyridine-2-carbonyl)benzenesulfonyl fluoride
CID 165460462
(6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 102949952

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone (CID 118814239) is [3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone is O=C(c1cc(F)cc(OC(F)(F)F)c1)c1ccccn1.
What is the InChIKey of [3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The InChIKey is BJNKUYACPYOIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-9-5-8(6-10(7-9)20-13(15,16)17)12(19)11-3-1-2-4-18-11/h1-7H.
What are the key properties of [3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
[3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone has a molecular weight of 285.20 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118814239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).