5-bromo-3-chloro-6-nitro-2H-indazole

C7H3BrClN3O2 — CID 70680679

IUPAC5-bromo-3-chloro-6-nitro-2H-indazole
SMILESO=[N+]([O-])c1cc2n[nH]c(Cl)c2cc1Br
InChIInChI=1S/C7H3BrClN3O2/c8-4-1-3-5(10-11-7(3)9)2-6(4)12(13)14/h1-2H,(H,10,11)
InChIKeyLFBVQNHVYIPVOU-UHFFFAOYSA-N
MW276.48 g/mol
LogP2.89
Rot. Bonds1

About 5-bromo-3-chloro-6-nitro-2H-indazole

5-bromo-3-chloro-6-nitro-2H-indazole (PubChem CID 70680679) has the molecular formula C7H3BrClN3O2 and a molecular weight of 276.48 g/mol. Its IUPAC name is 5-bromo-3-chloro-6-nitro-2H-indazole.

Molecular Properties

Compound Name5-bromo-3-chloro-6-nitro-2H-indazole
PubChem CID70680679
Molecular FormulaC7H3BrClN3O2
Molecular Weight276.48 g/mol
Exact Mass274.91
IUPAC Name5-bromo-3-chloro-6-nitro-2H-indazole
SMILESO=[N+]([O-])c1cc2n[nH]c(Cl)c2cc1Br
InChIInChI=1S/C7H3BrClN3O2/c8-4-1-3-5(10-11-7(3)9)2-6(4)12(13)14/h1-2H,(H,10,11)
InChIKeyLFBVQNHVYIPVOU-UHFFFAOYSA-N
XLogP2.89
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.48
LogP ≤ 52.89
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

3,6-dibromo-5-nitro-2H-indazole
CID 171662384
3-bromo-5,6-dinitro-2H-indazole
CID 138559785
1-bromo-2,4,5-trinitrobenzene
CID 13333986
1,5-dibromo-2-chloro-4-nitrobenzene
CID 154213219
5,6-dinitro-3-propyl-2H-indazole
CID 139995253
2,4-dibromo-3-chloro-1,5-dinitrobenzene
CID 175294119
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
3,4-dichloro-6-nitro-2H-indazole
CID 24728286
2,7-dibromo-3,8-dinitrodibenzofuran
CID 121009366
5-bromo-6-chloro-7-nitro-1H-indazol-3-amine
CID 22319652
1-bromo-4,5-diiodo-2-nitrobenzene
CID 11503393
6,7-dinitroquinoxaline
CID 2724608

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-6-nitro-2H-indazole?
The IUPAC name of 5-bromo-3-chloro-6-nitro-2H-indazole (CID 70680679) is 5-bromo-3-chloro-6-nitro-2H-indazole.
What is the SMILES notation for 5-bromo-3-chloro-6-nitro-2H-indazole?
The canonical SMILES for 5-bromo-3-chloro-6-nitro-2H-indazole is O=[N+]([O-])c1cc2n[nH]c(Cl)c2cc1Br.
What is the InChIKey of 5-bromo-3-chloro-6-nitro-2H-indazole?
The InChIKey is LFBVQNHVYIPVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN3O2/c8-4-1-3-5(10-11-7(3)9)2-6(4)12(13)14/h1-2H,(H,10,11).
What are the key properties of 5-bromo-3-chloro-6-nitro-2H-indazole?
5-bromo-3-chloro-6-nitro-2H-indazole has a molecular weight of 276.48 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-6-nitro-2H-indazole is sourced from PubChem (CID 70680679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).