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

C15H19BrClN3 — CID 79302816

IUPAC6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1C1CCCCCC1
InChIInChI=1S/C15H19BrClN3/c1-10(17)14-19-13-8-11(16)9-18-15(13)20(14)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyUADXHGRXGATDIP-UHFFFAOYSA-N
MW356.70 g/mol
LogP5.39
Rot. Bonds2

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

6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine (PubChem CID 79302816) has the molecular formula C15H19BrClN3 and a molecular weight of 356.70 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine
PubChem CID79302816
Molecular FormulaC15H19BrClN3
Molecular Weight356.70 g/mol
Exact Mass355.05
IUPAC Name6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1C1CCCCCC1
InChIInChI=1S/C15H19BrClN3/c1-10(17)14-19-13-8-11(16)9-18-15(13)20(14)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyUADXHGRXGATDIP-UHFFFAOYSA-N
XLogP5.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 55.39
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

3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 79302589
6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548514
6-bromo-2-(1-chloroethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79280245
6-bromo-2-(1-chloroethyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 80713098
6-bromo-2-(1-chloroethyl)-3-(2-ethylcyclopropyl)imidazo[4,5-b]pyridine
CID 114109176
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpyrrolidin-2-one
CID 106259196
4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79278162
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
CID 79279739
6-bromo-2-(1-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79279906
6-bromo-3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79306648
6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280600
6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine
CID 79302688

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine (CID 79302816) is 6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine is CC(Cl)c1nc2cc(Br)cnc2n1C1CCCCCC1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine?
The InChIKey is UADXHGRXGATDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3/c1-10(17)14-19-13-8-11(16)9-18-15(13)20(14)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine has a molecular weight of 356.70 g/mol, XLogP of 5.39, 2 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-cycloheptylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79302816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).