2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde

C15H16N2O — CID 165499895

IUPAC2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(C2CC3CCC2C3)nc2ccccn12
InChIInChI=1S/C15H16N2O/c18-9-13-15(12-8-10-4-5-11(12)7-10)16-14-3-1-2-6-17(13)14/h1-3,6,9-12H,4-5,7-8H2
InChIKeyBBUZBEOFIBYNIE-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.05
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 165499895) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID165499895
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(C2CC3CCC2C3)nc2ccccn12
InChIInChI=1S/C15H16N2O/c18-9-13-15(12-8-10-4-5-11(12)7-10)16-14-3-1-2-6-17(13)14/h1-3,6,9-12H,4-5,7-8H2
InChIKeyBBUZBEOFIBYNIE-UHFFFAOYSA-N
XLogP3.05
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.05
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 2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 165499895) is 2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(C2CC3CCC2C3)nc2ccccn12.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is BBUZBEOFIBYNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-9-13-15(12-8-10-4-5-11(12)7-10)16-14-3-1-2-6-17(13)14/h1-3,6,9-12H,4-5,7-8H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 240.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 165499895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).