6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine

C13H15BrClN3O — CID 79302179

IUPAC6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cc(Br)cnc2n1C1CCOCC1
InChIInChI=1S/C13H15BrClN3O/c14-9-7-11-13(16-8-9)18(12(17-11)1-4-15)10-2-5-19-6-3-10/h7-8,10H,1-6H2
InChIKeyPPEPQAGZFKZQBH-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.33
Rot. Bonds3

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

6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine (PubChem CID 79302179) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
PubChem CID79302179
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC Name6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cc(Br)cnc2n1C1CCOCC1
InChIInChI=1S/C13H15BrClN3O/c14-9-7-11-13(16-8-9)18(12(17-11)1-4-15)10-2-5-19-6-3-10/h7-8,10H,1-6H2
InChIKeyPPEPQAGZFKZQBH-UHFFFAOYSA-N
XLogP3.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine
CID 79302688
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
6-bromo-2-(2-chloroethyl)-3-(3-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79280268
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
2-[6-bromo-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79278760
2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine
CID 79278559
6-bromo-2-(2-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79302391
6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79301852
6-bromo-2-(1-chloroethyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 80713098

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine (CID 79302179) is 6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine is ClCCc1nc2cc(Br)cnc2n1C1CCOCC1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is PPEPQAGZFKZQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O/c14-9-7-11-13(16-8-9)18(12(17-11)1-4-15)10-2-5-19-6-3-10/h7-8,10H,1-6H2.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine has a molecular weight of 344.64 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).