3-bromo-2,3-dihydroimidazo[1,2-a]pyridine

C₇H₇BrN₂ — CID 130393861

About 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine

3-bromo-2,3-dihydroimidazo[1,2-a]pyridine (PubChem CID 130393861) has the molecular formula C₇H₇BrN₂ and a molecular weight of 199.05 g/mol. Its IUPAC name is 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine
• PubChem CID: 130393861
• Molecular Formula: C₇H₇BrN₂
• Molecular Weight: 199.05 g/mol
• Exact Mass: 197.98
• IUPAC Name: 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine
• SMILES: BrC1CN=C2C=CC=CN21
• InChI: InChI=1S/C7H7BrN2/c8-6-5-9-7-3-1-2-4-10(6)7/h1-4,6H,5H2
• InChIKey: XJIIITOTVYPVMC-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	199.05
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine?

The IUPAC name of 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine (CID 130393861) is 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine.

What is the SMILES notation for 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine?

The canonical SMILES for 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine is BrC1CN=C2C=CC=CN21.

What is the InChIKey of 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine?

The InChIKey is XJIIITOTVYPVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c8-6-5-9-7-3-1-2-4-10(6)7/h1-4,6H,5H2.

What are the key properties of 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine?

3-bromo-2,3-dihydroimidazo[1,2-a]pyridine has a molecular weight of 199.05 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 130393861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130393861 — identifiers, structure, computed properties (public domain)

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