6-nitro-1H-indazole-5-carbonitrile

C8H4N4O2 — CID 76846367

IUPAC6-nitro-1H-indazole-5-carbonitrile
SMILESN#Cc1cc2cn[nH]c2cc1[N+](=O)[O-]
InChIInChI=1S/C8H4N4O2/c9-3-5-1-6-4-10-11-7(6)2-8(5)12(13)14/h1-2,4H,(H,10,11)
InChIKeyPNSCGKWAXKKZNU-UHFFFAOYSA-N
MW188.15 g/mol
LogP1.34
Rot. Bonds1

About 6-nitro-1H-indazole-5-carbonitrile

6-nitro-1H-indazole-5-carbonitrile (PubChem CID 76846367) has the molecular formula C8H4N4O2 and a molecular weight of 188.15 g/mol. Its IUPAC name is 6-nitro-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name6-nitro-1H-indazole-5-carbonitrile
PubChem CID76846367
Molecular FormulaC8H4N4O2
Molecular Weight188.15 g/mol
Exact Mass188.03
IUPAC Name6-nitro-1H-indazole-5-carbonitrile
SMILESN#Cc1cc2cn[nH]c2cc1[N+](=O)[O-]
InChIInChI=1S/C8H4N4O2/c9-3-5-1-6-4-10-11-7(6)2-8(5)12(13)14/h1-2,4H,(H,10,11)
InChIKeyPNSCGKWAXKKZNU-UHFFFAOYSA-N
XLogP1.34
TPSA95.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-nitro-1H-indazole-5-carbonitrile?
The IUPAC name of 6-nitro-1H-indazole-5-carbonitrile (CID 76846367) is 6-nitro-1H-indazole-5-carbonitrile.
What is the SMILES notation for 6-nitro-1H-indazole-5-carbonitrile?
The canonical SMILES for 6-nitro-1H-indazole-5-carbonitrile is N#Cc1cc2cn[nH]c2cc1[N+](=O)[O-].
What is the InChIKey of 6-nitro-1H-indazole-5-carbonitrile?
The InChIKey is PNSCGKWAXKKZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O2/c9-3-5-1-6-4-10-11-7(6)2-8(5)12(13)14/h1-2,4H,(H,10,11).
What are the key properties of 6-nitro-1H-indazole-5-carbonitrile?
6-nitro-1H-indazole-5-carbonitrile has a molecular weight of 188.15 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1H-indazole-5-carbonitrile is sourced from PubChem (CID 76846367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).