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

C14H11BrClN3O — CID 79301892

IUPAC6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine
SMILESCOc1cccc(-n2c(CCl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C14H11BrClN3O/c1-20-11-4-2-3-10(6-11)19-13(7-16)18-12-5-9(15)8-17-14(12)19/h2-6,8H,7H2,1H3
InChIKeyDTDQOHNWRJOSGY-UHFFFAOYSA-N
MW352.62 g/mol
LogP3.93
Rot. Bonds3

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

6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine (PubChem CID 79301892) has the molecular formula C14H11BrClN3O and a molecular weight of 352.62 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine
PubChem CID79301892
Molecular FormulaC14H11BrClN3O
Molecular Weight352.62 g/mol
Exact Mass350.98
IUPAC Name6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine
SMILESCOc1cccc(-n2c(CCl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C14H11BrClN3O/c1-20-11-4-2-3-10(6-11)19-13(7-16)18-12-5-9(15)8-17-14(12)19/h2-6,8H,7H2,1H3
InChIKeyDTDQOHNWRJOSGY-UHFFFAOYSA-N
XLogP3.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 79278638
6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 104780070
6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine
CID 79302168
6-bromo-2-(2-chloroethyl)-3-(3-ethylphenyl)imidazo[4,5-b]pyridine
CID 79280597
6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine
CID 79302952
6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
CID 115470981
6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
CID 79278416
6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279729
6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107614160
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-2-(2-chloroethyl)-3-(3-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79278413

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine (CID 79301892) is 6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine is COc1cccc(-n2c(CCl)nc3cc(Br)cnc32)c1.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine?
The InChIKey is DTDQOHNWRJOSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O/c1-20-11-4-2-3-10(6-11)19-13(7-16)18-12-5-9(15)8-17-14(12)19/h2-6,8H,7H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine has a molecular weight of 352.62 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79301892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).