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

C10H7BrN2O — CID 171531680

IUPAC8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde
SMILESC=Cc1c(C=O)nc2c(Br)cccn12
InChIInChI=1S/C10H7BrN2O/c1-2-9-8(6-14)12-10-7(11)4-3-5-13(9)10/h2-6H,1H2
InChIKeyOONULXCASGLWFE-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.55
Rot. Bonds2

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

8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde (PubChem CID 171531680) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde
PubChem CID171531680
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde
SMILESC=Cc1c(C=O)nc2c(Br)cccn12
InChIInChI=1S/C10H7BrN2O/c1-2-9-8(6-14)12-10-7(11)4-3-5-13(9)10/h2-6H,1H2
InChIKeyOONULXCASGLWFE-UHFFFAOYSA-N
XLogP2.55
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde?
The IUPAC name of 8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde (CID 171531680) is 8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde?
The canonical SMILES for 8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde is C=Cc1c(C=O)nc2c(Br)cccn12.
What is the InChIKey of 8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde?
The InChIKey is OONULXCASGLWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c1-2-9-8(6-14)12-10-7(11)4-3-5-13(9)10/h2-6H,1H2.
What are the key properties of 8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde?
8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde has a molecular weight of 251.08 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 171531680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).