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

C26H18Br2N4 — CID 139193249

IUPAC2-bromo-3-phenylimidazo[1,2-a]pyridine
SMILESBrc1nc2ccccn2c1-c1ccccc1.Brc1nc2ccccn2c1-c1ccccc1
InChIInChI=1S/2C13H9BrN2/c2*14-13-12(10-6-2-1-3-7-10)16-9-5-4-8-11(16)15-13/h2*1-9H
InChIKeyZEVCAEQQCSJVCI-UHFFFAOYSA-N
MW546.27 g/mol
LogP7.53
Rot. Bonds2

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

2-bromo-3-phenylimidazo[1,2-a]pyridine (PubChem CID 139193249) has the molecular formula C26H18Br2N4 and a molecular weight of 546.27 g/mol. Its IUPAC name is 2-bromo-3-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-bromo-3-phenylimidazo[1,2-a]pyridine
PubChem CID139193249
Molecular FormulaC26H18Br2N4
Molecular Weight546.27 g/mol
Exact Mass543.99
IUPAC Name2-bromo-3-phenylimidazo[1,2-a]pyridine
SMILESBrc1nc2ccccn2c1-c1ccccc1.Brc1nc2ccccn2c1-c1ccccc1
InChIInChI=1S/2C13H9BrN2/c2*14-13-12(10-6-2-1-3-7-10)16-9-5-4-8-11(16)15-13/h2*1-9H
InChIKeyZEVCAEQQCSJVCI-UHFFFAOYSA-N
XLogP7.53
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.27
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 2-bromo-3-phenylimidazo[1,2-a]pyridine (CID 139193249) is 2-bromo-3-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-bromo-3-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-bromo-3-phenylimidazo[1,2-a]pyridine is Brc1nc2ccccn2c1-c1ccccc1.Brc1nc2ccccn2c1-c1ccccc1.
What is the InChIKey of 2-bromo-3-phenylimidazo[1,2-a]pyridine?
The InChIKey is ZEVCAEQQCSJVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9BrN2/c2*14-13-12(10-6-2-1-3-7-10)16-9-5-4-8-11(16)15-13/h2*1-9H.
What are the key properties of 2-bromo-3-phenylimidazo[1,2-a]pyridine?
2-bromo-3-phenylimidazo[1,2-a]pyridine has a molecular weight of 546.27 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 139193249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).