2-imidazo[1,2-a]pyridin-6-ylacetaldehyde

C9H8N2O — CID 54198783

IUPAC2-imidazo[1,2-a]pyridin-6-ylacetaldehyde
SMILESO=CCc1ccc2nccn2c1
InChIInChI=1S/C9H8N2O/c12-6-3-8-1-2-9-10-4-5-11(9)7-8/h1-2,4-7H,3H2
InChIKeyPNTGDQRMHMDQBI-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.08
Rot. Bonds2

About 2-imidazo[1,2-a]pyridin-6-ylacetaldehyde

2-imidazo[1,2-a]pyridin-6-ylacetaldehyde (PubChem CID 54198783) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-6-ylacetaldehyde.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-6-ylacetaldehyde
PubChem CID54198783
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-imidazo[1,2-a]pyridin-6-ylacetaldehyde
SMILESO=CCc1ccc2nccn2c1
InChIInChI=1S/C9H8N2O/c12-6-3-8-1-2-9-10-4-5-11(9)7-8/h1-2,4-7H,3H2
InChIKeyPNTGDQRMHMDQBI-UHFFFAOYSA-N
XLogP1.08
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.08
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-imidazo[1,2-a]pyridin-6-ylacetaldehyde?
The IUPAC name of 2-imidazo[1,2-a]pyridin-6-ylacetaldehyde (CID 54198783) is 2-imidazo[1,2-a]pyridin-6-ylacetaldehyde.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-6-ylacetaldehyde?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-6-ylacetaldehyde is O=CCc1ccc2nccn2c1.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-6-ylacetaldehyde?
The InChIKey is PNTGDQRMHMDQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-6-3-8-1-2-9-10-4-5-11(9)7-8/h1-2,4-7H,3H2.
What are the key properties of 2-imidazo[1,2-a]pyridin-6-ylacetaldehyde?
2-imidazo[1,2-a]pyridin-6-ylacetaldehyde has a molecular weight of 160.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-6-ylacetaldehyde is sourced from PubChem (CID 54198783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).