2-[(2-diazoniophenyl)methyl]benzenediazonium

C13H10N4+2 — CID 57324568

IUPAC2-[(2-diazoniophenyl)methyl]benzenediazonium
SMILESN#[N+]c1ccccc1Cc1ccccc1[N+]#N
InChIInChI=1S/C13H10N4/c14-16-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)17-15/h1-8H,9H2/q+2
InChIKeyICSLUWBWGMQHCR-UHFFFAOYSA-N
MW222.25 g/mol
LogP4.25
Rot. Bonds2

About 2-[(2-diazoniophenyl)methyl]benzenediazonium

2-[(2-diazoniophenyl)methyl]benzenediazonium (PubChem CID 57324568) has the molecular formula C13H10N4+2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[(2-diazoniophenyl)methyl]benzenediazonium.

Molecular Properties

Compound Name2-[(2-diazoniophenyl)methyl]benzenediazonium
PubChem CID57324568
Molecular FormulaC13H10N4+2
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name2-[(2-diazoniophenyl)methyl]benzenediazonium
SMILESN#[N+]c1ccccc1Cc1ccccc1[N+]#N
InChIInChI=1S/C13H10N4/c14-16-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)17-15/h1-8H,9H2/q+2
InChIKeyICSLUWBWGMQHCR-UHFFFAOYSA-N
XLogP4.25
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylbenzenediazonium
CID 87917862
2-(2-diazoniophenyl)acetate
CID 172717003
2-dodecylbenzenediazonium
CID 22595305
2-sulfanylbenzenediazonium chloride
CID 158363309
2-fluorobenzenediazonium fluoride
CID 14451953
2-bromobenzenediazonium hydroxide
CID 87874741
2-methoxybenzenediazonium chloride
CID 10920957
2-bromo-3-chlorobenzenediazonium
CID 103482045
2-phenylmethoxybenzenediazonium
CID 11334097
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
4-anilino-2-(hydroxymethyl)benzenediazonium
CID 58028387
2-diazoniobenzenesulfonate
CID 10535477

Frequently Asked Questions

What is the IUPAC name of 2-[(2-diazoniophenyl)methyl]benzenediazonium?
The IUPAC name of 2-[(2-diazoniophenyl)methyl]benzenediazonium (CID 57324568) is 2-[(2-diazoniophenyl)methyl]benzenediazonium.
What is the SMILES notation for 2-[(2-diazoniophenyl)methyl]benzenediazonium?
The canonical SMILES for 2-[(2-diazoniophenyl)methyl]benzenediazonium is N#[N+]c1ccccc1Cc1ccccc1[N+]#N.
What is the InChIKey of 2-[(2-diazoniophenyl)methyl]benzenediazonium?
The InChIKey is ICSLUWBWGMQHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c14-16-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)17-15/h1-8H,9H2/q+2.
What are the key properties of 2-[(2-diazoniophenyl)methyl]benzenediazonium?
2-[(2-diazoniophenyl)methyl]benzenediazonium has a molecular weight of 222.25 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-diazoniophenyl)methyl]benzenediazonium is sourced from PubChem (CID 57324568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).