5-bromo-2-chloro-3-methoxypyridine

C6H5BrClNO — CID 16748108

IUPAC5-bromo-2-chloro-3-methoxypyridine
SMILESCOc1cc(Br)cnc1Cl
InChIInChI=1S/C6H5BrClNO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3
InChIKeyGFJMOZYIDADKLJ-UHFFFAOYSA-N
MW222.47 g/mol
LogP2.51
Rot. Bonds1

About 5-bromo-2-chloro-3-methoxypyridine

5-bromo-2-chloro-3-methoxypyridine (PubChem CID 16748108) has the molecular formula C6H5BrClNO and a molecular weight of 222.47 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-methoxypyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-methoxypyridine
PubChem CID16748108
Molecular FormulaC6H5BrClNO
Molecular Weight222.47 g/mol
Exact Mass220.92
IUPAC Name5-bromo-2-chloro-3-methoxypyridine
SMILESCOc1cc(Br)cnc1Cl
InChIInChI=1S/C6H5BrClNO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3
InChIKeyGFJMOZYIDADKLJ-UHFFFAOYSA-N
XLogP2.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-3-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-chloro-3-methoxypyridine?
The IUPAC name of 5-bromo-2-chloro-3-methoxypyridine (CID 16748108) is 5-bromo-2-chloro-3-methoxypyridine.
What is the SMILES notation for 5-bromo-2-chloro-3-methoxypyridine?
The canonical SMILES for 5-bromo-2-chloro-3-methoxypyridine is COc1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-methoxypyridine?
The InChIKey is GFJMOZYIDADKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3.
What are the key properties of 5-bromo-2-chloro-3-methoxypyridine?
5-bromo-2-chloro-3-methoxypyridine has a molecular weight of 222.47 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-methoxypyridine is sourced from PubChem (CID 16748108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).