6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

C16H10Cl2N2O3 — CID 110311943

IUPAC6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc3c(c2)OCCO3)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C16H10Cl2N2O3/c17-10-6-11(18)16-19-15(12(8-21)20(16)7-10)9-1-2-13-14(5-9)23-4-3-22-13/h1-2,5-8H,3-4H2
InChIKeyYURQEMUMNVAHJT-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.89
Rot. Bonds2

About 6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 110311943) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is 6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID110311943
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC Name6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc3c(c2)OCCO3)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C16H10Cl2N2O3/c17-10-6-11(18)16-19-15(12(8-21)20(16)7-10)9-1-2-13-14(5-9)23-4-3-22-13/h1-2,5-8H,3-4H2
InChIKeyYURQEMUMNVAHJT-UHFFFAOYSA-N
XLogP3.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.89
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
6,8-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-amine
CID 63617606
6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198113
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619145
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 1096448
8-chloro-2-naphthalen-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 87886295
[2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199604
2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82030062
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036157
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propylpyrazole-4-carbaldehyde
CID 61266666
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198328
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
CID 3695554

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 110311943) is 6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(-c2ccc3c(c2)OCCO3)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of 6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is YURQEMUMNVAHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c17-10-6-11(18)16-19-15(12(8-21)20(16)7-10)9-1-2-13-14(5-9)23-4-3-22-13/h1-2,5-8H,3-4H2.
What are the key properties of 6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 349.17 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 110311943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).