[5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine

C13H13N3O3 — CID 55051241

IUPAC[5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(COc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C13H13N3O3/c14-16-13-4-1-9(6-15-13)7-17-10-2-3-11-12(5-10)19-8-18-11/h1-6H,7-8,14H2,(H,15,16)
InChIKeyXWBKSGOQNXNWIO-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.67
Rot. Bonds4

About [5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine

[5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine (PubChem CID 55051241) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine
PubChem CID55051241
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name[5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(COc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C13H13N3O3/c14-16-13-4-1-9(6-15-13)7-17-10-2-3-11-12(5-10)19-8-18-11/h1-6H,7-8,14H2,(H,15,16)
InChIKeyXWBKSGOQNXNWIO-UHFFFAOYSA-N
XLogP1.67
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-[(3-bromophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62246032
2-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]propan-1-amine
CID 105350223
[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 63648050
4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
CID 113368057
4-[(6-hydrazinyl-3-pyridinyl)methoxy]benzamide
CID 62244712
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
CID 65338592
4-(1,3-benzodioxol-5-yloxymethyl)-2H-triazole
CID 175991136
(1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine
CID 83127599
3-(1,3-benzodioxol-5-yloxymethyl)-2-methylaniline
CID 43509360
[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 115480164
N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296536
5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79775055

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine (CID 55051241) is [5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine is NNc1ccc(COc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of [5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine?
The InChIKey is XWBKSGOQNXNWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-16-13-4-1-9(6-15-13)7-17-10-2-3-11-12(5-10)19-8-18-11/h1-6H,7-8,14H2,(H,15,16).
What are the key properties of [5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine?
[5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine has a molecular weight of 259.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 55051241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).