[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone

C13H9F2NO2 — CID 114963185

IUPAC[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H9F2NO2/c14-13(15)18-11-5-1-3-9(7-11)12(17)10-4-2-6-16-8-10/h1-8,13H
InChIKeyRVHQVHIUHSFFBB-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.91
Rot. Bonds4

About [3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone

[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone (PubChem CID 114963185) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
PubChem CID114963185
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H9F2NO2/c14-13(15)18-11-5-1-3-9(7-11)12(17)10-4-2-6-16-8-10/h1-8,13H
InChIKeyRVHQVHIUHSFFBB-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(difluoromethoxy)phenyl]-pyridin-3-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-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 114971543
[2-(difluoromethoxy)-6-hydroxyphenyl]-pyridin-3-ylmethanone
CID 134621157
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621435
[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299025
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134622086
[2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone
CID 134621166
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone (CID 114963185) is [3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cccc(OC(F)F)c1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The InChIKey is RVHQVHIUHSFFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-13(15)18-11-5-1-3-9(7-11)12(17)10-4-2-6-16-8-10/h1-8,13H.
What are the key properties of [3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone has a molecular weight of 249.22 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 114963185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).