(2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone

C15H14FNO2 — CID 115604695

IUPAC(2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)nc2C)cc1F
InChIInChI=1S/C15H14FNO2/c1-9-4-6-12(10(2)17-9)15(18)11-5-7-14(19-3)13(16)8-11/h4-8H,1-3H3
InChIKeyPLSIMVYJHYDEKQ-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.08
Rot. Bonds3

About (2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone

(2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 115604695) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID115604695
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)nc2C)cc1F
InChIInChI=1S/C15H14FNO2/c1-9-4-6-12(10(2)17-9)15(18)11-5-7-14(19-3)13(16)8-11/h4-8H,1-3H3
InChIKeyPLSIMVYJHYDEKQ-UHFFFAOYSA-N
XLogP3.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)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-fluoro-4-methoxyphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790442
(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 102802743
(2,6-dimethyl-3-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 105127258
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone (CID 115604695) is (2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(C)nc2C)cc1F.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is PLSIMVYJHYDEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-9-4-6-12(10(2)17-9)15(18)11-5-7-14(19-3)13(16)8-11/h4-8H,1-3H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone?
(2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 259.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 115604695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).