3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde

C12H14N2O — CID 112552199

IUPAC3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCCc1ccc2c(C=O)nc(CC)n2c1
InChIInChI=1S/C12H14N2O/c1-3-9-5-6-11-10(8-15)13-12(4-2)14(11)7-9/h5-8H,3-4H2,1-2H3
InChIKeyGUHTYQWZAALCQW-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.27
Rot. Bonds3

About 3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde

3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 112552199) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID112552199
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCCc1ccc2c(C=O)nc(CC)n2c1
InChIInChI=1S/C12H14N2O/c1-3-9-5-6-11-10(8-15)13-12(4-2)14(11)7-9/h5-8H,3-4H2,1-2H3
InChIKeyGUHTYQWZAALCQW-UHFFFAOYSA-N
XLogP2.27
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.27
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 3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde (CID 112552199) is 3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde is CCc1ccc2c(C=O)nc(CC)n2c1.
What is the InChIKey of 3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is GUHTYQWZAALCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-9-5-6-11-10(8-15)13-12(4-2)14(11)7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde?
3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 202.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 112552199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).