2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde

C15H11FN2O — CID 117137327

IUPAC2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2cc(Cc3ccccc3F)nc12
InChIInChI=1S/C15H11FN2O/c16-14-6-2-1-4-11(14)8-13-9-18-7-3-5-12(10-19)15(18)17-13/h1-7,9-10H,8H2
InChIKeyCSOQLRBWUYILQZ-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.88
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde

2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde (PubChem CID 117137327) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
PubChem CID117137327
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2cc(Cc3ccccc3F)nc12
InChIInChI=1S/C15H11FN2O/c16-14-6-2-1-4-11(14)8-13-9-18-7-3-5-12(10-19)15(18)17-13/h1-7,9-10H,8H2
InChIKeyCSOQLRBWUYILQZ-UHFFFAOYSA-N
XLogP2.88
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.88
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-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde?
The IUPAC name of 2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde (CID 117137327) is 2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde is O=Cc1cccn2cc(Cc3ccccc3F)nc12.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde?
The InChIKey is CSOQLRBWUYILQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-14-6-2-1-4-11(14)8-13-9-18-7-3-5-12(10-19)15(18)17-13/h1-7,9-10H,8H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde?
2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde has a molecular weight of 254.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 117137327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).