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

C10H10BrN3 — CID 84707589

IUPAC5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2ccc(Br)nc2n1C1CC1
InChIInChI=1S/C10H10BrN3/c1-6-12-8-4-5-9(11)13-10(8)14(6)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyABJGUCHJUDRGJN-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.84
Rot. Bonds1

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

5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine (PubChem CID 84707589) has the molecular formula C10H10BrN3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine
PubChem CID84707589
Molecular FormulaC10H10BrN3
Molecular Weight252.11 g/mol
Exact Mass251.01
IUPAC Name5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2ccc(Br)nc2n1C1CC1
InChIInChI=1S/C10H10BrN3/c1-6-12-8-4-5-9(11)13-10(8)14(6)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyABJGUCHJUDRGJN-UHFFFAOYSA-N
XLogP2.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine 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-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine (CID 84707589) is 5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine is Cc1nc2ccc(Br)nc2n1C1CC1.
What is the InChIKey of 5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine?
The InChIKey is ABJGUCHJUDRGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-6-12-8-4-5-9(11)13-10(8)14(6)7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine?
5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine has a molecular weight of 252.11 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 84707589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).