8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde

C12H12BrN3O — CID 82529711

IUPAC8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(N2CCCC2)nc2c(Br)cccn12
InChIInChI=1S/C12H12BrN3O/c13-9-4-3-7-16-10(8-17)12(14-11(9)16)15-5-1-2-6-15/h3-4,7-8H,1-2,5-6H2
InChIKeyXBOKUGMSOXTDCM-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.51
Rot. Bonds2

About 8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde

8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 82529711) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID82529711
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(N2CCCC2)nc2c(Br)cccn12
InChIInChI=1S/C12H12BrN3O/c13-9-4-3-7-16-10(8-17)12(14-11(9)16)15-5-1-2-6-15/h3-4,7-8H,1-2,5-6H2
InChIKeyXBOKUGMSOXTDCM-UHFFFAOYSA-N
XLogP2.51
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 82529711) is 8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(N2CCCC2)nc2c(Br)cccn12.
What is the InChIKey of 8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is XBOKUGMSOXTDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-9-4-3-7-16-10(8-17)12(14-11(9)16)15-5-1-2-6-15/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 294.15 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 82529711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).