2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde

C16H14N2O3 — CID 71621460

IUPAC2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde
SMILESCOc1ccc(OCc2cccn3ccnc23)c(C=O)c1
InChIInChI=1S/C16H14N2O3/c1-20-14-4-5-15(13(9-14)10-19)21-11-12-3-2-7-18-8-6-17-16(12)18/h2-10H,11H2,1H3
InChIKeyAJERFTOKIJSSNV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.73
Rot. Bonds5

About 2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde

2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde (PubChem CID 71621460) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde
PubChem CID71621460
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde
SMILESCOc1ccc(OCc2cccn3ccnc23)c(C=O)c1
InChIInChI=1S/C16H14N2O3/c1-20-14-4-5-15(13(9-14)10-19)21-11-12-3-2-7-18-8-6-17-16(12)18/h2-10H,11H2,1H3
InChIKeyAJERFTOKIJSSNV-UHFFFAOYSA-N
XLogP2.73
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde (CID 71621460) is 2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde is COc1ccc(OCc2cccn3ccnc23)c(C=O)c1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde?
The InChIKey is AJERFTOKIJSSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-14-4-5-15(13(9-14)10-19)21-11-12-3-2-7-18-8-6-17-16(12)18/h2-10H,11H2,1H3.
What are the key properties of 2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde?
2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde has a molecular weight of 282.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde is sourced from PubChem (CID 71621460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).