2-bromo-6-phenylmethoxypyridine

C12H10BrNO — CID 817475

IUPAC2-bromo-6-phenylmethoxypyridine
SMILESBrc1cccc(OCc2ccccc2)n1
InChIInChI=1S/C12H10BrNO/c13-11-7-4-8-12(14-11)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyWEMPEMXDSUATEK-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.42
Rot. Bonds3

About 2-bromo-6-phenylmethoxypyridine

2-bromo-6-phenylmethoxypyridine (PubChem CID 817475) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 2-bromo-6-phenylmethoxypyridine.

Molecular Properties

Compound Name2-bromo-6-phenylmethoxypyridine
PubChem CID817475
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name2-bromo-6-phenylmethoxypyridine
SMILESBrc1cccc(OCc2ccccc2)n1
InChIInChI=1S/C12H10BrNO/c13-11-7-4-8-12(14-11)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyWEMPEMXDSUATEK-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-phenylmethoxypyridine 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 2-bromo-6-phenylmethoxypyridine?
The IUPAC name of 2-bromo-6-phenylmethoxypyridine (CID 817475) is 2-bromo-6-phenylmethoxypyridine.
What is the SMILES notation for 2-bromo-6-phenylmethoxypyridine?
The canonical SMILES for 2-bromo-6-phenylmethoxypyridine is Brc1cccc(OCc2ccccc2)n1.
What is the InChIKey of 2-bromo-6-phenylmethoxypyridine?
The InChIKey is WEMPEMXDSUATEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-11-7-4-8-12(14-11)15-9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-bromo-6-phenylmethoxypyridine?
2-bromo-6-phenylmethoxypyridine has a molecular weight of 264.12 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-phenylmethoxypyridine is sourced from PubChem (CID 817475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).