5-bromo-3-methylimidazo[1,2-a]pyridine

C8H7BrN2 — CID 12637722

IUPAC5-bromo-3-methylimidazo[1,2-a]pyridine
SMILESCc1cnc2cccc(Br)n12
InChIInChI=1S/C8H7BrN2/c1-6-5-10-8-4-2-3-7(9)11(6)8/h2-5H,1H3
InChIKeyBLPMWJDXOIVLQZ-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.41
Rot. Bonds

About 5-bromo-3-methylimidazo[1,2-a]pyridine

5-bromo-3-methylimidazo[1,2-a]pyridine (PubChem CID 12637722) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 5-bromo-3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-bromo-3-methylimidazo[1,2-a]pyridine
PubChem CID12637722
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name5-bromo-3-methylimidazo[1,2-a]pyridine
SMILESCc1cnc2cccc(Br)n12
InChIInChI=1S/C8H7BrN2/c1-6-5-10-8-4-2-3-7(9)11(6)8/h2-5H,1H3
InChIKeyBLPMWJDXOIVLQZ-UHFFFAOYSA-N
XLogP2.41
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylimidazo[1,2-a]pyridine?
The IUPAC name of 5-bromo-3-methylimidazo[1,2-a]pyridine (CID 12637722) is 5-bromo-3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 5-bromo-3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 5-bromo-3-methylimidazo[1,2-a]pyridine is Cc1cnc2cccc(Br)n12.
What is the InChIKey of 5-bromo-3-methylimidazo[1,2-a]pyridine?
The InChIKey is BLPMWJDXOIVLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-6-5-10-8-4-2-3-7(9)11(6)8/h2-5H,1H3.
What are the key properties of 5-bromo-3-methylimidazo[1,2-a]pyridine?
5-bromo-3-methylimidazo[1,2-a]pyridine has a molecular weight of 211.06 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 12637722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).