3-methoxy-1-phenyl-2H-pyridine

C12H13NO — CID 86669532

IUPAC3-methoxy-1-phenyl-2H-pyridine
SMILESCOC1=CC=CN(c2ccccc2)C1
InChIInChI=1S/C12H13NO/c1-14-12-8-5-9-13(10-12)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyMGHMMDQHEPLULZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.55
Rot. Bonds2

About 3-methoxy-1-phenyl-2H-pyridine

3-methoxy-1-phenyl-2H-pyridine (PubChem CID 86669532) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-methoxy-1-phenyl-2H-pyridine.

Molecular Properties

Compound Name3-methoxy-1-phenyl-2H-pyridine
PubChem CID86669532
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3-methoxy-1-phenyl-2H-pyridine
SMILESCOC1=CC=CN(c2ccccc2)C1
InChIInChI=1S/C12H13NO/c1-14-12-8-5-9-13(10-12)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyMGHMMDQHEPLULZ-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-1-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenyl-2H-pyridine?
The IUPAC name of 3-methoxy-1-phenyl-2H-pyridine (CID 86669532) is 3-methoxy-1-phenyl-2H-pyridine.
What is the SMILES notation for 3-methoxy-1-phenyl-2H-pyridine?
The canonical SMILES for 3-methoxy-1-phenyl-2H-pyridine is COC1=CC=CN(c2ccccc2)C1.
What is the InChIKey of 3-methoxy-1-phenyl-2H-pyridine?
The InChIKey is MGHMMDQHEPLULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-12-8-5-9-13(10-12)11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of 3-methoxy-1-phenyl-2H-pyridine?
3-methoxy-1-phenyl-2H-pyridine has a molecular weight of 187.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenyl-2H-pyridine is sourced from PubChem (CID 86669532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).