2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde

C13H9NO4 — CID 114055648

IUPAC2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C13H9NO4/c15-7-9-2-1-5-14-13(9)18-10-3-4-11-12(6-10)17-8-16-11/h1-7H,8H2
InChIKeyNNPWZCYLGSADBU-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.42
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde

2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde (PubChem CID 114055648) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde
PubChem CID114055648
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C13H9NO4/c15-7-9-2-1-5-14-13(9)18-10-3-4-11-12(6-10)17-8-16-11/h1-7H,8H2
InChIKeyNNPWZCYLGSADBU-UHFFFAOYSA-N
XLogP2.42
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde
CID 114067205
N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62298280
6-(1,3-benzodioxol-5-yloxy)-2-methylpyridine-3-carbaldehyde
CID 86611552
2-(1,3-benzodioxol-5-yloxy)-4-bromobenzaldehyde
CID 43364678
3-(1,3-benzodioxol-5-yloxy)pyrazine-2-carbothioamide
CID 62684138
[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591180
2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde
CID 114055694
2-(3-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114055703
N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride
CID 22058434
2-(1,3-benzodioxol-5-yloxy)-5-nitrobenzaldehyde
CID 28888032
2-(1,3-benzodioxol-5-yloxy)-3,5,6-trichloropyridine
CID 113222181
tert-butyl N-[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 20872670

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde (CID 114055648) is 2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde is O=Cc1cccnc1Oc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde?
The InChIKey is NNPWZCYLGSADBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-7-9-2-1-5-14-13(9)18-10-3-4-11-12(6-10)17-8-16-11/h1-7H,8H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde?
2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde has a molecular weight of 243.22 g/mol, XLogP of 2.42, 3 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-yloxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 114055648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).