2-bromo-3-methoxy-6-methylpyridine

C7H8BrNO — CID 10965563

IUPAC2-bromo-3-methoxy-6-methylpyridine
SMILESCOc1ccc(C)nc1Br
InChIInChI=1S/C7H8BrNO/c1-5-3-4-6(10-2)7(8)9-5/h3-4H,1-2H3
InChIKeyOUJFCUIDDZMCCW-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.16
Rot. Bonds1

About 2-bromo-3-methoxy-6-methylpyridine

2-bromo-3-methoxy-6-methylpyridine (PubChem CID 10965563) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-bromo-3-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-bromo-3-methoxy-6-methylpyridine
PubChem CID10965563
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-bromo-3-methoxy-6-methylpyridine
SMILESCOc1ccc(C)nc1Br
InChIInChI=1S/C7H8BrNO/c1-5-3-4-6(10-2)7(8)9-5/h3-4H,1-2H3
InChIKeyOUJFCUIDDZMCCW-UHFFFAOYSA-N
XLogP2.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-3-methoxy-6-methylpyridine 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-3-methoxy-6-methylpyridine?
The IUPAC name of 2-bromo-3-methoxy-6-methylpyridine (CID 10965563) is 2-bromo-3-methoxy-6-methylpyridine.
What is the SMILES notation for 2-bromo-3-methoxy-6-methylpyridine?
The canonical SMILES for 2-bromo-3-methoxy-6-methylpyridine is COc1ccc(C)nc1Br.
What is the InChIKey of 2-bromo-3-methoxy-6-methylpyridine?
The InChIKey is OUJFCUIDDZMCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-3-4-6(10-2)7(8)9-5/h3-4H,1-2H3.
What are the key properties of 2-bromo-3-methoxy-6-methylpyridine?
2-bromo-3-methoxy-6-methylpyridine has a molecular weight of 202.05 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxy-6-methylpyridine is sourced from PubChem (CID 10965563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).