3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde

C15H11ClN2O — CID 117141138

IUPAC3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2cnc(Cc3ccccc3Cl)n12
InChIInChI=1S/C15H11ClN2O/c16-14-7-2-1-4-11(14)8-15-17-9-12-5-3-6-13(10-19)18(12)15/h1-7,9-10H,8H2
InChIKeyNSTNQDPMORFJRN-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.39
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde

3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 117141138) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde
PubChem CID117141138
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2cnc(Cc3ccccc3Cl)n12
InChIInChI=1S/C15H11ClN2O/c16-14-7-2-1-4-11(14)8-15-17-9-12-5-3-6-13(10-19)18(12)15/h1-7,9-10H,8H2
InChIKeyNSTNQDPMORFJRN-UHFFFAOYSA-N
XLogP3.39
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.39
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-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde (CID 117141138) is 3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde is O=Cc1cccc2cnc(Cc3ccccc3Cl)n12.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is NSTNQDPMORFJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-14-7-2-1-4-11(14)8-15-17-9-12-5-3-6-13(10-19)18(12)15/h1-7,9-10H,8H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 270.72 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117141138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).