7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde

C15H12N2O — CID 2759989

IUPAC7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccn2c(C=O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C15H12N2O/c1-11-7-8-17-13(10-18)15(16-14(17)9-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyKWLLHQOGNBYLDD-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.12
Rot. Bonds2

About 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde

7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 2759989) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID2759989
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccn2c(C=O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C15H12N2O/c1-11-7-8-17-13(10-18)15(16-14(17)9-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyKWLLHQOGNBYLDD-UHFFFAOYSA-N
XLogP3.12
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.12
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 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 2759989) is 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1ccn2c(C=O)c(-c3ccccc3)nc2c1.
What is the InChIKey of 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is KWLLHQOGNBYLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-7-8-17-13(10-18)15(16-14(17)9-11)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde?
7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 2759989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).