6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine

C12H13BrClN3 — CID 79302688

IUPAC6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine
SMILESClCCc1nc2cc(Br)cnc2n1C1CCC1
InChIInChI=1S/C12H13BrClN3/c13-8-6-10-12(15-7-8)17(9-2-1-3-9)11(16-10)4-5-14/h6-7,9H,1-5H2
InChIKeyIOJIOCKIAXMPHO-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.70
Rot. Bonds3

About 6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine

6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine (PubChem CID 79302688) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine
PubChem CID79302688
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine
SMILESClCCc1nc2cc(Br)cnc2n1C1CCC1
InChIInChI=1S/C12H13BrClN3/c13-8-6-10-12(15-7-8)17(9-2-1-3-9)11(16-10)4-5-14/h6-7,9H,1-5H2
InChIKeyIOJIOCKIAXMPHO-UHFFFAOYSA-N
XLogP3.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.70
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

6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 79302179
6-bromo-2-(2-chloroethyl)-3-(3-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79280268
6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79278792
6-bromo-2-(2-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548562
6-bromo-2-(2-chloroethyl)-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79363129
3-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79280056
6-bromo-2-(chloromethyl)-3-(4-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 79301958
6-bromo-3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79306648
3-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79301919
6-bromo-2-(2-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79302391
6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 80585975
6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79302252

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine (CID 79302688) is 6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine is ClCCc1nc2cc(Br)cnc2n1C1CCC1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine?
The InChIKey is IOJIOCKIAXMPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c13-8-6-10-12(15-7-8)17(9-2-1-3-9)11(16-10)4-5-14/h6-7,9H,1-5H2.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine has a molecular weight of 314.61 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79302688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).