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

C15H12Br2ClN3 — CID 79279729

IUPAC6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CCCl)nc3cc(Br)cnc32)cc1Br
InChIInChI=1S/C15H12Br2ClN3/c1-9-2-3-11(7-12(9)17)21-14(4-5-18)20-13-6-10(16)8-19-15(13)21/h2-3,6-8H,4-5H2,1H3
InChIKeyBFQNGYHYXCUGBM-UHFFFAOYSA-N
MW429.54 g/mol
LogP5.04
Rot. Bonds3

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

6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine (PubChem CID 79279729) has the molecular formula C15H12Br2ClN3 and a molecular weight of 429.54 g/mol. Its IUPAC name is 6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
PubChem CID79279729
Molecular FormulaC15H12Br2ClN3
Molecular Weight429.54 g/mol
Exact Mass426.91
IUPAC Name6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CCCl)nc3cc(Br)cnc32)cc1Br
InChIInChI=1S/C15H12Br2ClN3/c1-9-2-3-11(7-12(9)17)21-14(4-5-18)20-13-6-10(16)8-19-15(13)21/h2-3,6-8H,4-5H2,1H3
InChIKeyBFQNGYHYXCUGBM-UHFFFAOYSA-N
XLogP5.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 55.04
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-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine (CID 79279729) is 6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine is Cc1ccc(-n2c(CCCl)nc3cc(Br)cnc32)cc1Br.
What is the InChIKey of 6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The InChIKey is BFQNGYHYXCUGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClN3/c1-9-2-3-11(7-12(9)17)21-14(4-5-18)20-13-6-10(16)8-19-15(13)21/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine has a molecular weight of 429.54 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79279729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).