3,4-dichloro-6-nitro-2H-indazole

C7H3Cl2N3O2 — CID 24728286

IUPAC3,4-dichloro-6-nitro-2H-indazole
SMILESO=[N+]([O-])c1cc(Cl)c2c(Cl)[nH]nc2c1
InChIInChI=1S/C7H3Cl2N3O2/c8-4-1-3(12(13)14)2-5-6(4)7(9)11-10-5/h1-2H,(H,10,11)
InChIKeyKPIGSQZATGPGPF-UHFFFAOYSA-N
MW232.03 g/mol
LogP2.78
Rot. Bonds1

About 3,4-dichloro-6-nitro-2H-indazole

3,4-dichloro-6-nitro-2H-indazole (PubChem CID 24728286) has the molecular formula C7H3Cl2N3O2 and a molecular weight of 232.03 g/mol. Its IUPAC name is 3,4-dichloro-6-nitro-2H-indazole.

Molecular Properties

Compound Name3,4-dichloro-6-nitro-2H-indazole
PubChem CID24728286
Molecular FormulaC7H3Cl2N3O2
Molecular Weight232.03 g/mol
Exact Mass230.96
IUPAC Name3,4-dichloro-6-nitro-2H-indazole
SMILESO=[N+]([O-])c1cc(Cl)c2c(Cl)[nH]nc2c1
InChIInChI=1S/C7H3Cl2N3O2/c8-4-1-3(12(13)14)2-5-6(4)7(9)11-10-5/h1-2H,(H,10,11)
InChIKeyKPIGSQZATGPGPF-UHFFFAOYSA-N
XLogP2.78
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 52.78
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-6-nitro-2H-indazole?
The IUPAC name of 3,4-dichloro-6-nitro-2H-indazole (CID 24728286) is 3,4-dichloro-6-nitro-2H-indazole.
What is the SMILES notation for 3,4-dichloro-6-nitro-2H-indazole?
The canonical SMILES for 3,4-dichloro-6-nitro-2H-indazole is O=[N+]([O-])c1cc(Cl)c2c(Cl)[nH]nc2c1.
What is the InChIKey of 3,4-dichloro-6-nitro-2H-indazole?
The InChIKey is KPIGSQZATGPGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3O2/c8-4-1-3(12(13)14)2-5-6(4)7(9)11-10-5/h1-2H,(H,10,11).
What are the key properties of 3,4-dichloro-6-nitro-2H-indazole?
3,4-dichloro-6-nitro-2H-indazole has a molecular weight of 232.03 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-6-nitro-2H-indazole is sourced from PubChem (CID 24728286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).