6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine

C16H15BrClN3 — CID 79280600

IUPAC6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(C)cc(-n2c(C(C)Cl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C16H15BrClN3/c1-9-4-10(2)6-13(5-9)21-15(11(3)18)20-14-7-12(17)8-19-16(14)21/h4-8,11H,1-3H3
InChIKeyZIRDVGQSUNCOQF-UHFFFAOYSA-N
MW364.67 g/mol
LogP5.10
Rot. Bonds2

About 6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine

6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79280600) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine
PubChem CID79280600
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(C)cc(-n2c(C(C)Cl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C16H15BrClN3/c1-9-4-10(2)6-13(5-9)21-15(11(3)18)20-14-7-12(17)8-19-16(14)21/h4-8,11H,1-3H3
InChIKeyZIRDVGQSUNCOQF-UHFFFAOYSA-N
XLogP5.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.67
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine (CID 79280600) is 6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine is Cc1cc(C)cc(-n2c(C(C)Cl)nc3cc(Br)cnc32)c1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is ZIRDVGQSUNCOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-9-4-10(2)6-13(5-9)21-15(11(3)18)20-14-7-12(17)8-19-16(14)21/h4-8,11H,1-3H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 364.67 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79280600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).