1-benzyl-4-methoxy-2H-pyridine

C13H15NO — CID 131167872

IUPAC1-benzyl-4-methoxy-2H-pyridine
SMILESCOC1=CCN(Cc2ccccc2)C=C1
InChIInChI=1S/C13H15NO/c1-15-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyQGNXWEVNFHPYQX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.55
Rot. Bonds3

About 1-benzyl-4-methoxy-2H-pyridine

1-benzyl-4-methoxy-2H-pyridine (PubChem CID 131167872) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-benzyl-4-methoxy-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-methoxy-2H-pyridine
PubChem CID131167872
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-benzyl-4-methoxy-2H-pyridine
SMILESCOC1=CCN(Cc2ccccc2)C=C1
InChIInChI=1S/C13H15NO/c1-15-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyQGNXWEVNFHPYQX-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-methoxy-2H-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-benzyl-2H-pyridine-4-carboxamide
CID 13227960
(1-benzyl-2H-pyridin-4-yl)-phenylmethanone
CID 20805356
(2E)-2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide
CID 176507830
2-[(1-benzyl-2H-pyridin-4-yl)methylidene]-5,6-dimethoxyinden-1-ol;hydrobromide
CID 175687244
1-methyl-4-phenylmethoxy-2H-pyridine
CID 175211613
3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide
CID 21222078
1-benzyl-5-methyl-2H-pyridine
CID 15225953
1-benzyl-3-methyl-2H-imidazole
CID 18674614
6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline
CID 141162048
1-benzyl-3-methyl-2,3-dihydropyrrole
CID 152546116
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
CID 174997401
3-benzyl-1,2-dihydroimidazole
CID 67392024

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxy-2H-pyridine?
The IUPAC name of 1-benzyl-4-methoxy-2H-pyridine (CID 131167872) is 1-benzyl-4-methoxy-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-methoxy-2H-pyridine?
The canonical SMILES for 1-benzyl-4-methoxy-2H-pyridine is COC1=CCN(Cc2ccccc2)C=C1.
What is the InChIKey of 1-benzyl-4-methoxy-2H-pyridine?
The InChIKey is QGNXWEVNFHPYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-15-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-benzyl-4-methoxy-2H-pyridine?
1-benzyl-4-methoxy-2H-pyridine has a molecular weight of 201.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methoxy-2H-pyridine is sourced from PubChem (CID 131167872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).