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

C15H13BrClN3O — CID 82746394

IUPAC3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(-c3cc(C)ccc3Br)c2n1
InChIInChI=1S/C15H13BrClN3O/c1-9-3-4-10(16)12(7-9)20-13(8-17)18-11-5-6-14(21-2)19-15(11)20/h3-7H,8H2,1-2H3
InChIKeyRFDBYDKNYGAWAA-UHFFFAOYSA-N
MW366.65 g/mol
LogP4.24
Rot. Bonds3

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

3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine (PubChem CID 82746394) has the molecular formula C15H13BrClN3O and a molecular weight of 366.65 g/mol. Its IUPAC name is 3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
PubChem CID82746394
Molecular FormulaC15H13BrClN3O
Molecular Weight366.65 g/mol
Exact Mass364.99
IUPAC Name3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(-c3cc(C)ccc3Br)c2n1
InChIInChI=1S/C15H13BrClN3O/c1-9-3-4-10(16)12(7-9)20-13(8-17)18-11-5-6-14(21-2)19-15(11)20/h3-7H,8H2,1-2H3
InChIKeyRFDBYDKNYGAWAA-UHFFFAOYSA-N
XLogP4.24
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine (CID 82746394) is 3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine is COc1ccc2nc(CCl)n(-c3cc(C)ccc3Br)c2n1.
What is the InChIKey of 3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine?
The InChIKey is RFDBYDKNYGAWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3O/c1-9-3-4-10(16)12(7-9)20-13(8-17)18-11-5-6-14(21-2)19-15(11)20/h3-7H,8H2,1-2H3.
What are the key properties of 3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine?
3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine has a molecular weight of 366.65 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 82746394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).