3-methyl-5-nitro-2H-indazole

C8H7N3O2 — CID 11229104

IUPAC3-methyl-5-nitro-2H-indazole
SMILESCc1[nH]nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C8H7N3O2/c1-5-7-4-6(11(12)13)2-3-8(7)10-9-5/h2-4H,1H3,(H,9,10)
InChIKeyZGDNJFXKELMVLS-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.78
Rot. Bonds1

About 3-methyl-5-nitro-2H-indazole

3-methyl-5-nitro-2H-indazole (PubChem CID 11229104) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-methyl-5-nitro-2H-indazole.

Molecular Properties

Compound Name3-methyl-5-nitro-2H-indazole
PubChem CID11229104
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-methyl-5-nitro-2H-indazole
SMILESCc1[nH]nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C8H7N3O2/c1-5-7-4-6(11(12)13)2-3-8(7)10-9-5/h2-4H,1H3,(H,9,10)
InChIKeyZGDNJFXKELMVLS-UHFFFAOYSA-N
XLogP1.78
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
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'}

Analyze 3-methyl-5-nitro-2H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitro-2H-indazole?
The IUPAC name of 3-methyl-5-nitro-2H-indazole (CID 11229104) is 3-methyl-5-nitro-2H-indazole.
What is the SMILES notation for 3-methyl-5-nitro-2H-indazole?
The canonical SMILES for 3-methyl-5-nitro-2H-indazole is Cc1[nH]nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 3-methyl-5-nitro-2H-indazole?
The InChIKey is ZGDNJFXKELMVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-7-4-6(11(12)13)2-3-8(7)10-9-5/h2-4H,1H3,(H,9,10).
What are the key properties of 3-methyl-5-nitro-2H-indazole?
3-methyl-5-nitro-2H-indazole has a molecular weight of 177.16 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitro-2H-indazole is sourced from PubChem (CID 11229104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).