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

C15H13BrClN3 — CID 79294010

IUPAC3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1cc(Br)ccc1-n1c(CCl)nc2c(C)ccnc21
InChIInChI=1S/C15H13BrClN3/c1-9-5-6-18-15-14(9)19-13(8-17)20(15)12-4-3-11(16)7-10(12)2/h3-7H,8H2,1-2H3
InChIKeySGWJEOPETDRIFX-UHFFFAOYSA-N
MW350.65 g/mol
LogP4.54
Rot. Bonds2

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

3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79294010) has the molecular formula C15H13BrClN3 and a molecular weight of 350.65 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79294010
Molecular FormulaC15H13BrClN3
Molecular Weight350.65 g/mol
Exact Mass349.00
IUPAC Name3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1cc(Br)ccc1-n1c(CCl)nc2c(C)ccnc21
InChIInChI=1S/C15H13BrClN3/c1-9-5-6-18-15-14(9)19-13(8-17)20(15)12-4-3-11(16)7-10(12)2/h3-7H,8H2,1-2H3
InChIKeySGWJEOPETDRIFX-UHFFFAOYSA-N
XLogP4.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 54.54
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
3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293211
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
2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79276029
3-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 107614175
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline
CID 106760332
2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293061
3-(1-benzothiophen-5-yl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79278127
2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293210
3-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 107576170
2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 107637966

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine (CID 79294010) is 3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine is Cc1cc(Br)ccc1-n1c(CCl)nc2c(C)ccnc21.
What is the InChIKey of 3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is SGWJEOPETDRIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3/c1-9-5-6-18-15-14(9)19-13(8-17)20(15)12-4-3-11(16)7-10(12)2/h3-7H,8H2,1-2H3.
What are the key properties of 3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 350.65 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79294010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).