6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine

C13H16BrN3 — CID 117130894

IUPAC6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine
SMILESBrc1ccc2nc(CCN3CCCC3)cn2c1
InChIInChI=1S/C13H16BrN3/c14-11-3-4-13-15-12(10-17(13)9-11)5-8-16-6-1-2-7-16/h3-4,9-10H,1-2,5-8H2
InChIKeyMKVVDLBQHAGRRH-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.74
Rot. Bonds3

About 6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine

6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine (PubChem CID 117130894) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine
PubChem CID117130894
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine
SMILESBrc1ccc2nc(CCN3CCCC3)cn2c1
InChIInChI=1S/C13H16BrN3/c14-11-3-4-13-15-12(10-17(13)9-11)5-8-16-6-1-2-7-16/h3-4,9-10H,1-2,5-8H2
InChIKeyMKVVDLBQHAGRRH-UHFFFAOYSA-N
XLogP2.74
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine (CID 117130894) is 6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine is Brc1ccc2nc(CCN3CCCC3)cn2c1.
What is the InChIKey of 6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine?
The InChIKey is MKVVDLBQHAGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-11-3-4-13-15-12(10-17(13)9-11)5-8-16-6-1-2-7-16/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine?
6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine has a molecular weight of 294.20 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117130894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).