2-(1,3-benzodioxol-5-yl)benzenediazonium

C13H9N2O2+ — CID 134879950

IUPAC2-(1,3-benzodioxol-5-yl)benzenediazonium
SMILESN#[N+]c1ccccc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C13H9N2O2/c14-15-11-4-2-1-3-10(11)9-5-6-12-13(7-9)17-8-16-12/h1-7H,8H2/q+1
InChIKeyDUMDVXKMLHYQSI-UHFFFAOYSA-N
MW225.23 g/mol
LogP3.57
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)benzenediazonium

2-(1,3-benzodioxol-5-yl)benzenediazonium (PubChem CID 134879950) has the molecular formula C13H9N2O2+ and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)benzenediazonium.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)benzenediazonium
PubChem CID134879950
Molecular FormulaC13H9N2O2+
Molecular Weight225.23 g/mol
Exact Mass225.07
IUPAC Name2-(1,3-benzodioxol-5-yl)benzenediazonium
SMILESN#[N+]c1ccccc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C13H9N2O2/c14-15-11-4-2-1-3-10(11)9-5-6-12-13(7-9)17-8-16-12/h1-7H,8H2/q+1
InChIKeyDUMDVXKMLHYQSI-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-yl)benzoate
CID 7022485
[5-[3-(aminomethyl)-4-(1,3-benzodioxol-5-yl)phenyl]-2-(1,3-benzodioxol-5-yl)phenyl]methanamine
CID 154597141
2-[4-[2-(1,3-benzodioxol-5-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 46179560
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
2,3-bis(1,3-benzodioxol-5-yl)phenanthro[9,10-b]pyrazine
CID 59695647
1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 19894451
4-(aminomethyl)-2-(1,3-benzodioxol-5-yl)aniline
CID 139679587
4-(1,3-benzodioxol-5-yl)-3-methylphenol
CID 54078563
methane;5-methyl-1,3-benzodioxole;1,4-xylene
CID 160857167
3-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 6459267
2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)benzene-1,3-dicarbonitrile
CID 5344235
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)benzenediazonium?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)benzenediazonium (CID 134879950) is 2-(1,3-benzodioxol-5-yl)benzenediazonium.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)benzenediazonium?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)benzenediazonium is N#[N+]c1ccccc1-c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)benzenediazonium?
The InChIKey is DUMDVXKMLHYQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N2O2/c14-15-11-4-2-1-3-10(11)9-5-6-12-13(7-9)17-8-16-12/h1-7H,8H2/q+1.
What are the key properties of 2-(1,3-benzodioxol-5-yl)benzenediazonium?
2-(1,3-benzodioxol-5-yl)benzenediazonium has a molecular weight of 225.23 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)benzenediazonium is sourced from PubChem (CID 134879950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).