3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine

C14H11BrClN3 — CID 79293211

IUPAC3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2-c1ccccc1Br
InChIInChI=1S/C14H11BrClN3/c1-9-6-7-17-14-13(9)18-12(8-16)19(14)11-5-3-2-4-10(11)15/h2-7H,8H2,1H3
InChIKeyJTBGHEBNDYQTNS-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.23
Rot. Bonds2

About 3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine

3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293211) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79293211
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2-c1ccccc1Br
InChIInChI=1S/C14H11BrClN3/c1-9-6-7-17-14-13(9)18-12(8-16)19(14)11-5-3-2-4-10(11)15/h2-7H,8H2,1H3
InChIKeyJTBGHEBNDYQTNS-UHFFFAOYSA-N
XLogP4.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.23
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

3-(2-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293725
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline
CID 106760332
3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294010
3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 102854339
2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine
CID 79276035
3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 103480677
3-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 107614175
2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293061
2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293210
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276192
2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79276029

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine (CID 79293211) is 3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2-c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is JTBGHEBNDYQTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c1-9-6-7-17-14-13(9)18-12(8-16)19(14)11-5-3-2-4-10(11)15/h2-7H,8H2,1H3.
What are the key properties of 3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 336.62 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).