6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine

C13H17BrClN3 — CID 79302304

IUPAC6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine
SMILESCCC(CC)n1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C13H17BrClN3/c1-4-10(5-2)18-12(8(3)15)17-11-6-9(14)7-16-13(11)18/h6-8,10H,4-5H2,1-3H3
InChIKeyOQIKRMNVTBHXGY-UHFFFAOYSA-N
MW330.66 g/mol
LogP4.85
Rot. Bonds4

About 6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine

6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine (PubChem CID 79302304) has the molecular formula C13H17BrClN3 and a molecular weight of 330.66 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine
PubChem CID79302304
Molecular FormulaC13H17BrClN3
Molecular Weight330.66 g/mol
Exact Mass329.03
IUPAC Name6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine
SMILESCCC(CC)n1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C13H17BrClN3/c1-4-10(5-2)18-12(8(3)15)17-11-6-9(14)7-16-13(11)18/h6-8,10H,4-5H2,1-3H3
InChIKeyOQIKRMNVTBHXGY-UHFFFAOYSA-N
XLogP4.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.66
LogP ≤ 54.85
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-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79302839
6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine
CID 79302301
6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
CID 79301882
6-bromo-2-(1-chloroethyl)-3-(2-ethylcyclopropyl)imidazo[4,5-b]pyridine
CID 114109176
6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280600
6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79302089
6-bromo-2-(1-chloroethyl)-3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 79280598
6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79278437
6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine
CID 107576204
6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine
CID 79302816
6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79302307
6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
CID 79280609

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine (CID 79302304) is 6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine is CCC(CC)n1c(C(C)Cl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine?
The InChIKey is OQIKRMNVTBHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN3/c1-4-10(5-2)18-12(8(3)15)17-11-6-9(14)7-16-13(11)18/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine has a molecular weight of 330.66 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79302304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).