6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine

C15H21BrClN3 — CID 79302839

IUPAC6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine
SMILESCCC(CC)C(C)n1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C15H21BrClN3/c1-5-11(6-2)10(4)20-14(9(3)17)19-13-7-12(16)8-18-15(13)20/h7-11H,5-6H2,1-4H3
InChIKeyJJZAQPPYCOKKAQ-UHFFFAOYSA-N
MW358.71 g/mol
LogP5.49
Rot. Bonds5

About 6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine

6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 79302839) has the molecular formula C15H21BrClN3 and a molecular weight of 358.71 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine
PubChem CID79302839
Molecular FormulaC15H21BrClN3
Molecular Weight358.71 g/mol
Exact Mass357.06
IUPAC Name6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine
SMILESCCC(CC)C(C)n1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C15H21BrClN3/c1-5-11(6-2)10(4)20-14(9(3)17)19-13-7-12(16)8-18-15(13)20/h7-11H,5-6H2,1-4H3
InChIKeyJJZAQPPYCOKKAQ-UHFFFAOYSA-N
XLogP5.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.71
LogP ≤ 55.49
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-pentan-3-ylimidazo[4,5-b]pyridine
CID 79302304
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-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79278437
6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280600
6-bromo-2-(1-chloroethyl)-3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 79280598
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 79306291
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-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine (CID 79302839) is 6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine is CCC(CC)C(C)n1c(C(C)Cl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is JJZAQPPYCOKKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN3/c1-5-11(6-2)10(4)20-14(9(3)17)19-13-7-12(16)8-18-15(13)20/h7-11H,5-6H2,1-4H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 358.71 g/mol, XLogP of 5.49, 5 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-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).