2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

C15H11ClN2O — CID 117130313

IUPAC2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cc3cccc(Cl)c3)cn2c1
InChIInChI=1S/C15H11ClN2O/c16-13-3-1-2-11(6-13)7-14-9-18-8-12(10-19)4-5-15(18)17-14/h1-6,8-10H,7H2
InChIKeyBDIUSXDWSLQPDW-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.39
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 117130313) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID117130313
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cc3cccc(Cl)c3)cn2c1
InChIInChI=1S/C15H11ClN2O/c16-13-3-1-2-11(6-13)7-14-9-18-8-12(10-19)4-5-15(18)17-14/h1-6,8-10H,7H2
InChIKeyBDIUSXDWSLQPDW-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 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (CID 117130313) is 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is O=Cc1ccc2nc(Cc3cccc(Cl)c3)cn2c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is BDIUSXDWSLQPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-3-1-2-11(6-13)7-14-9-18-8-12(10-19)4-5-15(18)17-14/h1-6,8-10H,7H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-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 2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117130313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).