2-diazoindole

C8H5N3 — CID 54151415

IUPAC2-diazoindole
SMILES[N-]=[N+]=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5N3/c9-11-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKeyOHZSBTUPWASSLZ-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.27
Rot. Bonds

About 2-diazoindole

2-diazoindole (PubChem CID 54151415) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-diazoindole.

Molecular Properties

Compound Name2-diazoindole
PubChem CID54151415
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name2-diazoindole
SMILES[N-]=[N+]=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5N3/c9-11-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKeyOHZSBTUPWASSLZ-UHFFFAOYSA-N
XLogP-0.27
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazoindole?
The IUPAC name of 2-diazoindole (CID 54151415) is 2-diazoindole.
What is the SMILES notation for 2-diazoindole?
The canonical SMILES for 2-diazoindole is [N-]=[N+]=C1C=c2ccccc2=N1.
What is the InChIKey of 2-diazoindole?
The InChIKey is OHZSBTUPWASSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c9-11-8-5-6-3-1-2-4-7(6)10-8/h1-5H.
What are the key properties of 2-diazoindole?
2-diazoindole has a molecular weight of 143.15 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazoindole is sourced from PubChem (CID 54151415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).