6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine

C13H7Br2ClFN3 — CID 104780070

IUPAC6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(-n2c(CCl)nc3cc(Br)cnc32)cc1Br
InChIInChI=1S/C13H7Br2ClFN3/c14-7-3-11-13(18-6-7)20(12(5-16)19-11)8-1-2-10(17)9(15)4-8/h1-4,6H,5H2
InChIKeyCRULZOCZISFDFT-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.82
Rot. Bonds2

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

6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine (PubChem CID 104780070) has the molecular formula C13H7Br2ClFN3 and a molecular weight of 419.48 g/mol. Its IUPAC name is 6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
PubChem CID104780070
Molecular FormulaC13H7Br2ClFN3
Molecular Weight419.48 g/mol
Exact Mass416.87
IUPAC Name6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(-n2c(CCl)nc3cc(Br)cnc32)cc1Br
InChIInChI=1S/C13H7Br2ClFN3/c14-7-3-11-13(18-6-7)20(12(5-16)19-11)8-1-2-10(17)9(15)4-8/h1-4,6H,5H2
InChIKeyCRULZOCZISFDFT-UHFFFAOYSA-N
XLogP4.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107614160
6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine
CID 79301892
6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine
CID 79301964
6-bromo-2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79302170
6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279729
6-bromo-3-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 107614215
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 104780041
3-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104780032
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 104780082
6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 79278638
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
CID 104780055
6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine
CID 79302168

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine (CID 104780070) is 6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine is Fc1ccc(-n2c(CCl)nc3cc(Br)cnc32)cc1Br.
What is the InChIKey of 6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The InChIKey is CRULZOCZISFDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClFN3/c14-7-3-11-13(18-6-7)20(12(5-16)19-11)8-1-2-10(17)9(15)4-8/h1-4,6H,5H2.
What are the key properties of 6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine has a molecular weight of 419.48 g/mol, XLogP of 4.82, 2 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-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 104780070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).