6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium

C13H11N4+ — CID 58798115

IUPAC6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium
SMILESN#[N+]c1ccc(N2CCc3ccccc32)nc1
InChIInChI=1S/C13H11N4/c14-16-11-5-6-13(15-9-11)17-8-7-10-3-1-2-4-12(10)17/h1-6,9H,7-8H2/q+1
InChIKeyNQSFBQBXRCEIAP-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.26
Rot. Bonds1

About 6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium

6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium (PubChem CID 58798115) has the molecular formula C13H11N4+ and a molecular weight of 223.26 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium
PubChem CID58798115
Molecular FormulaC13H11N4+
Molecular Weight223.26 g/mol
Exact Mass223.10
IUPAC Name6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium
SMILESN#[N+]c1ccc(N2CCc3ccccc32)nc1
InChIInChI=1S/C13H11N4/c14-16-11-5-6-13(15-9-11)17-8-7-10-3-1-2-4-12(10)17/h1-6,9H,7-8H2/q+1
InChIKeyNQSFBQBXRCEIAP-UHFFFAOYSA-N
XLogP3.26
TPSA44.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium (CID 58798115) is 6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium is N#[N+]c1ccc(N2CCc3ccccc32)nc1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium?
The InChIKey is NQSFBQBXRCEIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N4/c14-16-11-5-6-13(15-9-11)17-8-7-10-3-1-2-4-12(10)17/h1-6,9H,7-8H2/q+1.
What are the key properties of 6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium?
6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium has a molecular weight of 223.26 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium is sourced from PubChem (CID 58798115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).