3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine

C12H14BrN3 — CID 117247004

IUPAC3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
SMILESBrc1nc(CN2CCCC2)c2ccccn12
InChIInChI=1S/C12H14BrN3/c13-12-14-10(9-15-6-3-4-7-15)11-5-1-2-8-16(11)12/h1-2,5,8H,3-4,6-7,9H2
InChIKeyPQSAHFAAULMADY-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.69
Rot. Bonds2

About 3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine

3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117247004) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID117247004
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
SMILESBrc1nc(CN2CCCC2)c2ccccn12
InChIInChI=1S/C12H14BrN3/c13-12-14-10(9-15-6-3-4-7-15)11-5-1-2-8-16(11)12/h1-2,5,8H,3-4,6-7,9H2
InChIKeyPQSAHFAAULMADY-UHFFFAOYSA-N
XLogP2.69
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine (CID 117247004) is 3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine is Brc1nc(CN2CCCC2)c2ccccn12.
What is the InChIKey of 3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is PQSAHFAAULMADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-12-14-10(9-15-6-3-4-7-15)11-5-1-2-8-16(11)12/h1-2,5,8H,3-4,6-7,9H2.
What are the key properties of 3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 280.17 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117247004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).