2,5-bis[(3-methoxyphenyl)methyl]pyridine

C21H21NO2 — CID 91067305

IUPAC2,5-bis[(3-methoxyphenyl)methyl]pyridine
SMILESCOc1cccc(Cc2ccc(Cc3cccc(OC)c3)nc2)c1
InChIInChI=1S/C21H21NO2/c1-23-20-7-3-5-16(13-20)11-18-9-10-19(22-15-18)12-17-6-4-8-21(14-17)24-2/h3-10,13-15H,11-12H2,1-2H3
InChIKeyGMXGJUHDMRGSMJ-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.28
Rot. Bonds6

About 2,5-bis[(3-methoxyphenyl)methyl]pyridine

2,5-bis[(3-methoxyphenyl)methyl]pyridine (PubChem CID 91067305) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2,5-bis[(3-methoxyphenyl)methyl]pyridine.

Molecular Properties

Compound Name2,5-bis[(3-methoxyphenyl)methyl]pyridine
PubChem CID91067305
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2,5-bis[(3-methoxyphenyl)methyl]pyridine
SMILESCOc1cccc(Cc2ccc(Cc3cccc(OC)c3)nc2)c1
InChIInChI=1S/C21H21NO2/c1-23-20-7-3-5-16(13-20)11-18-9-10-19(22-15-18)12-17-6-4-8-21(14-17)24-2/h3-10,13-15H,11-12H2,1-2H3
InChIKeyGMXGJUHDMRGSMJ-UHFFFAOYSA-N
XLogP4.28
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-bis[(3-methoxyphenyl)methyl]pyridine 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

1-(5-ethyl-2-pyridinyl)-3-(3-methoxyphenyl)-N-methylpropan-2-amine
CID 79732394
3-[(3-methoxyphenyl)methyl]pyridazine
CID 117106572
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanamine
CID 79775923
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine
CID 79799843
2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine
CID 103054759
6-[(3-methoxyphenyl)methyl]pyrimidine-4-carbonitrile
CID 121206299
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 104810378
4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106594

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(3-methoxyphenyl)methyl]pyridine?
The IUPAC name of 2,5-bis[(3-methoxyphenyl)methyl]pyridine (CID 91067305) is 2,5-bis[(3-methoxyphenyl)methyl]pyridine.
What is the SMILES notation for 2,5-bis[(3-methoxyphenyl)methyl]pyridine?
The canonical SMILES for 2,5-bis[(3-methoxyphenyl)methyl]pyridine is COc1cccc(Cc2ccc(Cc3cccc(OC)c3)nc2)c1.
What is the InChIKey of 2,5-bis[(3-methoxyphenyl)methyl]pyridine?
The InChIKey is GMXGJUHDMRGSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-23-20-7-3-5-16(13-20)11-18-9-10-19(22-15-18)12-17-6-4-8-21(14-17)24-2/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of 2,5-bis[(3-methoxyphenyl)methyl]pyridine?
2,5-bis[(3-methoxyphenyl)methyl]pyridine has a molecular weight of 319.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(3-methoxyphenyl)methyl]pyridine is sourced from PubChem (CID 91067305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).