3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde

C15H11FN2O — CID 117141123

IUPAC3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2cnc(Cc3cccc(F)c3)n12
InChIInChI=1S/C15H11FN2O/c16-12-4-1-3-11(7-12)8-15-17-9-13-5-2-6-14(10-19)18(13)15/h1-7,9-10H,8H2
InChIKeyMFZOMUILSISQRC-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.88
Rot. Bonds3

About 3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde

3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 117141123) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde
PubChem CID117141123
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2cnc(Cc3cccc(F)c3)n12
InChIInChI=1S/C15H11FN2O/c16-12-4-1-3-11(7-12)8-15-17-9-13-5-2-6-14(10-19)18(13)15/h1-7,9-10H,8H2
InChIKeyMFZOMUILSISQRC-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 3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde (CID 117141123) is 3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde is O=Cc1cccc2cnc(Cc3cccc(F)c3)n12.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is MFZOMUILSISQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-4-1-3-11(7-12)8-15-17-9-13-5-2-6-14(10-19)18(13)15/h1-7,9-10H,8H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-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 3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117141123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).