5-bromo-2-methoxypyridine

C6H6BrNO — CID 2734895

IUPAC5-bromo-2-methoxypyridine
SMILESCOc1ccc(Br)cn1
InChIInChI=1S/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
InChIKeyXADICJHFELMBGX-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.85
Rot. Bonds1

About 5-bromo-2-methoxypyridine

5-bromo-2-methoxypyridine (PubChem CID 2734895) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 5-bromo-2-methoxypyridine.

Molecular Properties

Compound Name5-bromo-2-methoxypyridine
PubChem CID2734895
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name5-bromo-2-methoxypyridine
SMILESCOc1ccc(Br)cn1
InChIInChI=1S/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
InChIKeyXADICJHFELMBGX-UHFFFAOYSA-N
XLogP1.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-methoxypyridine 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 5-bromo-2-methoxypyridine?
The IUPAC name of 5-bromo-2-methoxypyridine (CID 2734895) is 5-bromo-2-methoxypyridine.
What is the SMILES notation for 5-bromo-2-methoxypyridine?
The canonical SMILES for 5-bromo-2-methoxypyridine is COc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-methoxypyridine?
The InChIKey is XADICJHFELMBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3.
What are the key properties of 5-bromo-2-methoxypyridine?
5-bromo-2-methoxypyridine has a molecular weight of 188.02 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxypyridine is sourced from PubChem (CID 2734895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).