5-methylimidazo[1,2-a]pyridine-3-carbaldehyde

C9H8N2O — CID 10511156

IUPAC5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1cccc2ncc(C=O)n12
InChIInChI=1S/C9H8N2O/c1-7-3-2-4-9-10-5-8(6-12)11(7)9/h2-6H,1H3
InChIKeyDUMDWTOBALQSBO-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.46
Rot. Bonds1

About 5-methylimidazo[1,2-a]pyridine-3-carbaldehyde

5-methylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 10511156) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-methylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID10511156
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1cccc2ncc(C=O)n12
InChIInChI=1S/C9H8N2O/c1-7-3-2-4-9-10-5-8(6-12)11(7)9/h2-6H,1H3
InChIKeyDUMDWTOBALQSBO-UHFFFAOYSA-N
XLogP1.46
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.46
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 5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 5-methylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 10511156) is 5-methylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 5-methylimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1cccc2ncc(C=O)n12.
What is the InChIKey of 5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is DUMDWTOBALQSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7-3-2-4-9-10-5-8(6-12)11(7)9/h2-6H,1H3.
What are the key properties of 5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
5-methylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 160.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 10511156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).