[6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine

C13H11Cl2N3O3 — CID 102762731

IUPAC[6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine
SMILESNNc1nc(OCc2ccc3c(c2)OCO3)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N3O3/c14-8-4-9(15)13(17-12(8)18-16)19-5-7-1-2-10-11(3-7)21-6-20-10/h1-4H,5-6,16H2,(H,17,18)
InChIKeyILGUPVAPEBGZOM-UHFFFAOYSA-N
MW328.16 g/mol
LogP2.98
Rot. Bonds4

About [6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine

[6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine (PubChem CID 102762731) has the molecular formula C13H11Cl2N3O3 and a molecular weight of 328.16 g/mol. Its IUPAC name is [6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine
PubChem CID102762731
Molecular FormulaC13H11Cl2N3O3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name[6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine
SMILESNNc1nc(OCc2ccc3c(c2)OCO3)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N3O3/c14-8-4-9(15)13(17-12(8)18-16)19-5-7-1-2-10-11(3-7)21-6-20-10/h1-4H,5-6,16H2,(H,17,18)
InChIKeyILGUPVAPEBGZOM-UHFFFAOYSA-N
XLogP2.98
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 52.98
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

4-(1,3-benzodioxol-5-ylmethoxy)-6-chloropyrimidin-5-amine
CID 63021904
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
N-(1,3-benzodioxol-5-ylmethyl)-3,5,6-trichloropyridin-2-amine
CID 102751013
2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide
CID 142987779
5-(1,3-benzodioxol-5-ylmethoxymethyl)-2-chloroaniline
CID 43349968
8-(1,3-benzodioxol-5-ylmethoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80843714
4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
CID 113368057
4-(1,3-benzodioxol-5-ylmethoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944491
6-(1,3-benzodioxol-5-ylmethoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80860215
[5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine
CID 55051241
[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine
CID 66450197
2-(1,3-benzodioxol-5-ylmethoxy)aniline
CID 11791381

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine?
The IUPAC name of [6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine (CID 102762731) is [6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine is NNc1nc(OCc2ccc3c(c2)OCO3)c(Cl)cc1Cl.
What is the InChIKey of [6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine?
The InChIKey is ILGUPVAPEBGZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3/c14-8-4-9(15)13(17-12(8)18-16)19-5-7-1-2-10-11(3-7)21-6-20-10/h1-4H,5-6,16H2,(H,17,18).
What are the key properties of [6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine?
[6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine has a molecular weight of 328.16 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine is sourced from PubChem (CID 102762731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).