5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine

C11H12BrN3 — CID 135335908

IUPAC5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine
SMILESC=CCCn1c(C)nc2ccc(Br)nc21
InChIInChI=1S/C11H12BrN3/c1-3-4-7-15-8(2)13-9-5-6-10(12)14-11(9)15/h3,5-6H,1,4,7H2,2H3
InChIKeyFEFWLHVCYILHCM-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.08
Rot. Bonds3

About 5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine

5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine (PubChem CID 135335908) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine
PubChem CID135335908
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine
SMILESC=CCCn1c(C)nc2ccc(Br)nc21
InChIInChI=1S/C11H12BrN3/c1-3-4-7-15-8(2)13-9-5-6-10(12)14-11(9)15/h3,5-6H,1,4,7H2,2H3
InChIKeyFEFWLHVCYILHCM-UHFFFAOYSA-N
XLogP3.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine (CID 135335908) is 5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine is C=CCCn1c(C)nc2ccc(Br)nc21.
What is the InChIKey of 5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine?
The InChIKey is FEFWLHVCYILHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-3-4-7-15-8(2)13-9-5-6-10(12)14-11(9)15/h3,5-6H,1,4,7H2,2H3.
What are the key properties of 5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine?
5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine has a molecular weight of 266.14 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 135335908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).