6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine

C16H23BrClN3 — CID 102906922

About 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine

6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine (PubChem CID 102906922) has the molecular formula C16H23BrClN3 and a molecular weight of 372.74 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
• PubChem CID: 102906922
• Molecular Formula: C16H23BrClN3
• Molecular Weight: 372.74 g/mol
• Exact Mass: 371.08
• IUPAC Name: 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
• SMILES: CC(C)C(Cn1c(CCCl)nc2cc(Br)cnc21)C(C)C
• InChI: InChI=1S/C16H23BrClN3/c1-10(2)13(11(3)4)9-21-15(5-6-18)20-14-7-12(17)8-19-16(14)21/h7-8,10-11,13H,5-6,9H2,1-4H3
• InChIKey: WIRXLYMXGJORJX-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.74
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine?

The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine (CID 102906922) is 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine.

What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine?

The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine is CC(C)C(Cn1c(CCCl)nc2cc(Br)cnc21)C(C)C.

What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine?

The InChIKey is WIRXLYMXGJORJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClN3/c1-10(2)13(11(3)4)9-21-15(5-6-18)20-14-7-12(17)8-19-16(14)21/h7-8,10-11,13H,5-6,9H2,1-4H3.

What are the key properties of 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine?

6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine has a molecular weight of 372.74 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 102906922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).