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

C17H14N2O3 — CID 36688055

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccc2nc(-c3ccc4c(c3)OCCO4)c(C=O)n2c1
InChIInChI=1S/C17H14N2O3/c1-11-2-5-16-18-17(13(10-20)19(16)9-11)12-3-4-14-15(8-12)22-7-6-21-14/h2-5,8-10H,6-7H2,1H3
InChIKeyDVJMCKKNTHIZOD-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.89
Rot. Bonds2

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 36688055) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID36688055
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccc2nc(-c3ccc4c(c3)OCCO4)c(C=O)n2c1
InChIInChI=1S/C17H14N2O3/c1-11-2-5-16-18-17(13(10-20)19(16)9-11)12-3-4-14-15(8-12)22-7-6-21-14/h2-5,8-10H,6-7H2,1H3
InChIKeyDVJMCKKNTHIZOD-UHFFFAOYSA-N
XLogP2.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.89
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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 82355851
2-(4-chloro-3-methylphenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688057
2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 1096448
6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 110311943
2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 39134449
6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198113
2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine
CID 809308
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylimidazo[1,2-a]pyridine-6-carbonitrile
CID 82060365
2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688047
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619145
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazole-4-carbaldehyde
CID 88927692

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 36688055) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1ccc2nc(-c3ccc4c(c3)OCCO4)c(C=O)n2c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is DVJMCKKNTHIZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-2-5-16-18-17(13(10-20)19(16)9-11)12-3-4-14-15(8-12)22-7-6-21-14/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 294.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 36688055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).