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

C15H19BrClN3 — CID 79301852

IUPAC6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCC1CCC(n2c(CCl)nc3cc(Br)cnc32)CC1C
InChIInChI=1S/C15H19BrClN3/c1-9-3-4-12(5-10(9)2)20-14(7-17)19-13-6-11(16)8-18-15(13)20/h6,8-10,12H,3-5,7H2,1-2H3
InChIKeyPGIBBJOLUAXKHR-UHFFFAOYSA-N
MW356.70 g/mol
LogP4.93
Rot. Bonds2

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

6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine (PubChem CID 79301852) has the molecular formula C15H19BrClN3 and a molecular weight of 356.70 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine
PubChem CID79301852
Molecular FormulaC15H19BrClN3
Molecular Weight356.70 g/mol
Exact Mass355.05
IUPAC Name6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCC1CCC(n2c(CCl)nc3cc(Br)cnc32)CC1C
InChIInChI=1S/C15H19BrClN3/c1-9-3-4-12(5-10(9)2)20-14(7-17)19-13-6-11(16)8-18-15(13)20/h6,8-10,12H,3-5,7H2,1-2H3
InChIKeyPGIBBJOLUAXKHR-UHFFFAOYSA-N
XLogP4.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.70
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine (CID 79301852) is 6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine is CC1CCC(n2c(CCl)nc3cc(Br)cnc32)CC1C.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine?
The InChIKey is PGIBBJOLUAXKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3/c1-9-3-4-12(5-10(9)2)20-14(7-17)19-13-6-11(16)8-18-15(13)20/h6,8-10,12H,3-5,7H2,1-2H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine has a molecular weight of 356.70 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79301852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).