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

C14H17BrClN3 — CID 79870400

IUPAC6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCC1(C)CCCC1n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C14H17BrClN3/c1-14(2)5-3-4-11(14)19-12(7-16)18-10-6-9(15)8-17-13(10)19/h6,8,11H,3-5,7H2,1-2H3
InChIKeyIOXWJABSUCRUDT-UHFFFAOYSA-N
MW342.67 g/mol
LogP4.68
Rot. Bonds2

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

6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine (PubChem CID 79870400) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
PubChem CID79870400
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCC1(C)CCCC1n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C14H17BrClN3/c1-14(2)5-3-4-11(14)19-12(7-16)18-10-6-9(15)8-17-13(10)19/h6,8,11H,3-5,7H2,1-2H3
InChIKeyIOXWJABSUCRUDT-UHFFFAOYSA-N
XLogP4.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 54.68
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-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine (CID 79870400) is 6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine is CC1(C)CCCC1n1c(CCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine?
The InChIKey is IOXWJABSUCRUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-14(2)5-3-4-11(14)19-12(7-16)18-10-6-9(15)8-17-13(10)19/h6,8,11H,3-5,7H2,1-2H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine has a molecular weight of 342.67 g/mol, XLogP of 4.68, 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-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79870400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).