2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde

C17H15FN2O — CID 82529061

IUPAC2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCc1ccc(Cc2nc3c(F)cccn3c2C=O)cc1
InChIInChI=1S/C17H15FN2O/c1-2-12-5-7-13(8-6-12)10-15-16(11-21)20-9-3-4-14(18)17(20)19-15/h3-9,11H,2,10H2,1H3
InChIKeyFIEMTYCYDBJHMQ-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.44
Rot. Bonds4

About 2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde

2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 82529061) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID82529061
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCc1ccc(Cc2nc3c(F)cccn3c2C=O)cc1
InChIInChI=1S/C17H15FN2O/c1-2-12-5-7-13(8-6-12)10-15-16(11-21)20-9-3-4-14(18)17(20)19-15/h3-9,11H,2,10H2,1H3
InChIKeyFIEMTYCYDBJHMQ-UHFFFAOYSA-N
XLogP3.44
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.44
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-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde (CID 82529061) is 2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde is CCc1ccc(Cc2nc3c(F)cccn3c2C=O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is FIEMTYCYDBJHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-2-12-5-7-13(8-6-12)10-15-16(11-21)20-9-3-4-14(18)17(20)19-15/h3-9,11H,2,10H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde?
2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 282.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-8-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 82529061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).