3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine

C16H16BrN3 — CID 166961933

IUPAC3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc2ncc(-c3cccc(Br)n3)n2c1
InChIInChI=1S/C16H16BrN3/c1-16(2,3)11-7-8-15-18-9-13(20(15)10-11)12-5-4-6-14(17)19-12/h4-10H,1-3H3
InChIKeyHURMMZOBNRKHLF-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.46
Rot. Bonds1

About 3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine

3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine (PubChem CID 166961933) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine
PubChem CID166961933
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc2ncc(-c3cccc(Br)n3)n2c1
InChIInChI=1S/C16H16BrN3/c1-16(2,3)11-7-8-15-18-9-13(20(15)10-11)12-5-4-6-14(17)19-12/h4-10H,1-3H3
InChIKeyHURMMZOBNRKHLF-UHFFFAOYSA-N
XLogP4.46
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine (CID 166961933) is 3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine is CC(C)(C)c1ccc2ncc(-c3cccc(Br)n3)n2c1.
What is the InChIKey of 3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine?
The InChIKey is HURMMZOBNRKHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-16(2,3)11-7-8-15-18-9-13(20(15)10-11)12-5-4-6-14(17)19-12/h4-10H,1-3H3.
What are the key properties of 3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine?
3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine has a molecular weight of 330.23 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine is sourced from PubChem (CID 166961933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).