8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine

C14H18BrN3 — CID 117136361

IUPAC8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine
SMILESCCN1CCCC(c2cn3cccc(Br)c3n2)C1
InChIInChI=1S/C14H18BrN3/c1-2-17-7-3-5-11(9-17)13-10-18-8-4-6-12(15)14(18)16-13/h4,6,8,10-11H,2-3,5,7,9H2,1H3
InChIKeyYJXPFXXNQNRFEX-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.30
Rot. Bonds2

About 8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine

8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine (PubChem CID 117136361) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine
PubChem CID117136361
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine
SMILESCCN1CCCC(c2cn3cccc(Br)c3n2)C1
InChIInChI=1S/C14H18BrN3/c1-2-17-7-3-5-11(9-17)13-10-18-8-4-6-12(15)14(18)16-13/h4,6,8,10-11H,2-3,5,7,9H2,1H3
InChIKeyYJXPFXXNQNRFEX-UHFFFAOYSA-N
XLogP3.30
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine (CID 117136361) is 8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine is CCN1CCCC(c2cn3cccc(Br)c3n2)C1.
What is the InChIKey of 8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine?
The InChIKey is YJXPFXXNQNRFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-2-17-7-3-5-11(9-17)13-10-18-8-4-6-12(15)14(18)16-13/h4,6,8,10-11H,2-3,5,7,9H2,1H3.
What are the key properties of 8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine?
8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine has a molecular weight of 308.22 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117136361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).