5-nitro-2H-indazole-3-carbaldehyde

C8H5N3O3 — CID 21409181

IUPAC5-nitro-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C8H5N3O3/c12-4-8-6-3-5(11(13)14)1-2-7(6)9-10-8/h1-4H,(H,9,10)
InChIKeyUVUPPLXBIXJRKD-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.28
Rot. Bonds2

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

5-nitro-2H-indazole-3-carbaldehyde (PubChem CID 21409181) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 5-nitro-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name5-nitro-2H-indazole-3-carbaldehyde
PubChem CID21409181
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name5-nitro-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C8H5N3O3/c12-4-8-6-3-5(11(13)14)1-2-7(6)9-10-8/h1-4H,(H,9,10)
InChIKeyUVUPPLXBIXJRKD-UHFFFAOYSA-N
XLogP1.28
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

1H-Indazole-3-carboxamide
CID 20978176
1-(1H-indazol-3-yl)ethan-1-one
CID 15684169
Indazole-3-carbaldehyde
CID 11367068
N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide
CID 164625511
5-nitro-N-phenyl-1H-indazole-3-carboxamide
CID 10423877
3-formyl-1H-indazole-6-carbonitrile
CID 10749693
7-methyl-1H-indazole-3-carbaldehyde
CID 21032425
5-Fluoro-1H-indazole-3-carbaldehyde
CID 22056130
5-methyl-1H-indazole-3-carbaldehyde
CID 22477842
3-Formyl-1h-indazole-4-carbonitrile
CID 23033416
6-nitro-1H-indazole-3-carbaldehyde
CID 23118858
6-(Trifluoromethyl)-1H-indazole-3-carbaldehyde
CID 24729230

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2H-indazole-3-carbaldehyde?
The IUPAC name of 5-nitro-2H-indazole-3-carbaldehyde (CID 21409181) is 5-nitro-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 5-nitro-2H-indazole-3-carbaldehyde?
The canonical SMILES for 5-nitro-2H-indazole-3-carbaldehyde is O=Cc1[nH]nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 5-nitro-2H-indazole-3-carbaldehyde?
The InChIKey is UVUPPLXBIXJRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c12-4-8-6-3-5(11(13)14)1-2-7(6)9-10-8/h1-4H,(H,9,10).
What are the key properties of 5-nitro-2H-indazole-3-carbaldehyde?
5-nitro-2H-indazole-3-carbaldehyde has a molecular weight of 191.15 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 21409181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).