2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

C15H10N2O3 — CID 1096448

IUPAC2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc3c(c2)OCO3)nc2ccccn12
InChIInChI=1S/C15H10N2O3/c18-8-11-15(16-14-3-1-2-6-17(11)14)10-4-5-12-13(7-10)20-9-19-12/h1-8H,9H2
InChIKeyOGEDPIADNVZOBM-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.54
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 1096448) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID1096448
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc3c(c2)OCO3)nc2ccccn12
InChIInChI=1S/C15H10N2O3/c18-8-11-15(16-14-3-1-2-6-17(11)14)10-4-5-12-13(7-10)20-9-19-12/h1-8H,9H2
InChIKeyOGEDPIADNVZOBM-UHFFFAOYSA-N
XLogP2.54
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688055
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356265
4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline
CID 155806764
2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2760202
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 4648650
6-(1,3-benzodioxol-5-yl)-2-ethyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198909
2-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 6991926
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 102447794
6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 110311943
6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198113
2,3-bis(1,3-benzodioxol-5-yl)phenanthro[9,10-b]pyrazine
CID 59695647
2-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde
CID 53407581

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 1096448) is 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(-c2ccc3c(c2)OCO3)nc2ccccn12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is OGEDPIADNVZOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-8-11-15(16-14-3-1-2-6-17(11)14)10-4-5-12-13(7-10)20-9-19-12/h1-8H,9H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 266.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 1096448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).