3,6-dibromo-5-nitro-2H-indazole

C7H3Br2N3O2 — CID 171662384

IUPAC3,6-dibromo-5-nitro-2H-indazole
SMILESO=[N+]([O-])c1cc2c(Br)[nH]nc2cc1Br
InChIInChI=1S/C7H3Br2N3O2/c8-4-2-5-3(7(9)11-10-5)1-6(4)12(13)14/h1-2H,(H,10,11)
InChIKeyMQMQDTLMZWPPGE-UHFFFAOYSA-N
MW320.93 g/mol
LogP3.00
Rot. Bonds1

About 3,6-dibromo-5-nitro-2H-indazole

3,6-dibromo-5-nitro-2H-indazole (PubChem CID 171662384) has the molecular formula C7H3Br2N3O2 and a molecular weight of 320.93 g/mol. Its IUPAC name is 3,6-dibromo-5-nitro-2H-indazole.

Molecular Properties

Compound Name3,6-dibromo-5-nitro-2H-indazole
PubChem CID171662384
Molecular FormulaC7H3Br2N3O2
Molecular Weight320.93 g/mol
Exact Mass318.86
IUPAC Name3,6-dibromo-5-nitro-2H-indazole
SMILESO=[N+]([O-])c1cc2c(Br)[nH]nc2cc1Br
InChIInChI=1S/C7H3Br2N3O2/c8-4-2-5-3(7(9)11-10-5)1-6(4)12(13)14/h1-2H,(H,10,11)
InChIKeyMQMQDTLMZWPPGE-UHFFFAOYSA-N
XLogP3.00
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.93
LogP ≤ 53.00
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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Related Compounds

3-bromo-5,6-dinitro-2H-indazole
CID 138559785
5-bromo-3-chloro-6-nitro-2H-indazole
CID 70680679
1-bromo-2,4,5-trinitrobenzene
CID 13333986
3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole
CID 159473762
5,6-dinitro-3-propyl-2H-indazole
CID 139995253
3-bromo-6-fluoro-5-nitro-2H-indazole-7-carboxylic acid
CID 170750192
2,7-dibromo-3,8-dinitrodibenzofuran
CID 121009366
3-bromo-4-fluoro-6-nitro-2H-indazole
CID 24728289
1-bromo-4,5-diiodo-2-nitrobenzene
CID 11503393
1,5-dibromo-2-chloro-4-nitrobenzene
CID 154213219
3-bromo-4-nitrobicyclo[4.2.0]octa-1,3,5-triene
CID 130836892
5-bromo-3-fluoro-7-nitro-2H-indazole
CID 171544924

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-5-nitro-2H-indazole?
The IUPAC name of 3,6-dibromo-5-nitro-2H-indazole (CID 171662384) is 3,6-dibromo-5-nitro-2H-indazole.
What is the SMILES notation for 3,6-dibromo-5-nitro-2H-indazole?
The canonical SMILES for 3,6-dibromo-5-nitro-2H-indazole is O=[N+]([O-])c1cc2c(Br)[nH]nc2cc1Br.
What is the InChIKey of 3,6-dibromo-5-nitro-2H-indazole?
The InChIKey is MQMQDTLMZWPPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2N3O2/c8-4-2-5-3(7(9)11-10-5)1-6(4)12(13)14/h1-2H,(H,10,11).
What are the key properties of 3,6-dibromo-5-nitro-2H-indazole?
3,6-dibromo-5-nitro-2H-indazole has a molecular weight of 320.93 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-5-nitro-2H-indazole is sourced from PubChem (CID 171662384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).