[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone

C14H11F2NO2 — CID 114971543

IUPAC[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C14H11F2NO2/c1-9-5-6-11(8-17-9)13(18)10-3-2-4-12(7-10)19-14(15)16/h2-8,14H,1H3
InChIKeyGVPJJBBFIFGKIA-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.22
Rot. Bonds4

About [3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone

[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 114971543) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
PubChem CID114971543
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C14H11F2NO2/c1-9-5-6-11(8-17-9)13(18)10-3-2-4-12(7-10)19-14(15)16/h2-8,14H,1H3
InChIKeyGVPJJBBFIFGKIA-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone 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]-pyridin-3-ylmethanone
CID 114963185
(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
CID 105134421
[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299025
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510
[3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883266
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032050
1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
CID 171472865
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
CID 115804609

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone (CID 114971543) is [3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2cccc(OC(F)F)c2)cn1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is GVPJJBBFIFGKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-9-5-6-11(8-17-9)13(18)10-3-2-4-12(7-10)19-14(15)16/h2-8,14H,1H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone?
[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 263.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 114971543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).