6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine

C13H15BrClN3O — CID 79301967

IUPAC6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCC(C1CCCO1)n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C13H15BrClN3O/c1-8(11-3-2-4-19-11)18-12(6-15)17-10-5-9(14)7-16-13(10)18/h5,7-8,11H,2-4,6H2,1H3
InChIKeySYUJILFYNRKBPJ-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.67
Rot. Bonds3

About 6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine

6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 79301967) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID79301967
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC Name6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCC(C1CCCO1)n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C13H15BrClN3O/c1-8(11-3-2-4-19-11)18-12(6-15)17-10-5-9(14)7-16-13(10)18/h5,7-8,11H,2-4,6H2,1H3
InChIKeySYUJILFYNRKBPJ-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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

2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 55067885
6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine
CID 79302058
6-methyl-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79301180
2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one
CID 61065284
6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79278809
6-bromo-2-(chloromethyl)-3-(2-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 79302450
6-bromo-2-(chloromethyl)-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine
CID 79280249
6-bromo-2-(chloromethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 80585928
6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79302606
6-bromo-2-(chloromethyl)-3-(4-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 79301958
6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870400
2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667620

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine (CID 79301967) is 6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine is CC(C1CCCO1)n1c(CCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is SYUJILFYNRKBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O/c1-8(11-3-2-4-19-11)18-12(6-15)17-10-5-9(14)7-16-13(10)18/h5,7-8,11H,2-4,6H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 344.64 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79301967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).