7-nitroindazol-2-ide

C7H4N3O2- — CID 4311692

IUPAC7-nitroindazol-2-ide
SMILESO=[N+]([O-])c1cccc2c[n-]nc12
InChIInChI=1S/C7H4N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H/q-1
InChIKeyCESZFYRUECOIBO-UHFFFAOYSA-N
MW162.13 g/mol
LogP1.10
Rot. Bonds1

About 7-nitroindazol-2-ide

7-nitroindazol-2-ide (PubChem CID 4311692) has the molecular formula C7H4N3O2- and a molecular weight of 162.13 g/mol. Its IUPAC name is 7-nitroindazol-2-ide.

Molecular Properties

Compound Name7-nitroindazol-2-ide
PubChem CID4311692
Molecular FormulaC7H4N3O2-
Molecular Weight162.13 g/mol
Exact Mass162.03
IUPAC Name7-nitroindazol-2-ide
SMILESO=[N+]([O-])c1cccc2c[n-]nc12
InChIInChI=1S/C7H4N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H/q-1
InChIKeyCESZFYRUECOIBO-UHFFFAOYSA-N
XLogP1.10
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-nitroindazol-2-ide?
The IUPAC name of 7-nitroindazol-2-ide (CID 4311692) is 7-nitroindazol-2-ide.
What is the SMILES notation for 7-nitroindazol-2-ide?
The canonical SMILES for 7-nitroindazol-2-ide is O=[N+]([O-])c1cccc2c[n-]nc12.
What is the InChIKey of 7-nitroindazol-2-ide?
The InChIKey is CESZFYRUECOIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H/q-1.
What are the key properties of 7-nitroindazol-2-ide?
7-nitroindazol-2-ide has a molecular weight of 162.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitroindazol-2-ide is sourced from PubChem (CID 4311692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).