5-(5-bromo-2-nitrophenyl)-1H-indazole

C13H8BrN3O2 — CID 90219551

IUPAC5-(5-bromo-2-nitrophenyl)-1H-indazole
SMILESO=[N+]([O-])c1ccc(Br)cc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H8BrN3O2/c14-10-2-4-13(17(18)19)11(6-10)8-1-3-12-9(5-8)7-15-16-12/h1-7H,(H,15,16)
InChIKeySBDVSODLYHDRJE-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.90
Rot. Bonds2

About 5-(5-bromo-2-nitrophenyl)-1H-indazole

5-(5-bromo-2-nitrophenyl)-1H-indazole (PubChem CID 90219551) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 5-(5-bromo-2-nitrophenyl)-1H-indazole.

Molecular Properties

Compound Name5-(5-bromo-2-nitrophenyl)-1H-indazole
PubChem CID90219551
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name5-(5-bromo-2-nitrophenyl)-1H-indazole
SMILESO=[N+]([O-])c1ccc(Br)cc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H8BrN3O2/c14-10-2-4-13(17(18)19)11(6-10)8-1-3-12-9(5-8)7-15-16-12/h1-7H,(H,15,16)
InChIKeySBDVSODLYHDRJE-UHFFFAOYSA-N
XLogP3.90
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.90
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

4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
7-(5-bromo-2-nitrophenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene
CID 142323826
2-(5-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 130288813
6-nitro-1H-indazole-5-carbonitrile
CID 76846367
N,N-diethyl-2-[2-(1H-indazol-5-yl)-5-nitrophenoxy]ethanamine
CID 90798498
6,12-bis(5-bromo-2-nitrophenyl)chrysene
CID 87414674
4-(1H-indazol-5-yl)quinoline
CID 139407455
1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene
CID 170668159
5-nitro-1H-indazole-6-sulfonic acid
CID 142741949
6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole
CID 160594528
6-(5-bromo-2-nitrophenyl)-12-phenylchrysene
CID 87414662
6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole
CID 174839288

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-nitrophenyl)-1H-indazole?
The IUPAC name of 5-(5-bromo-2-nitrophenyl)-1H-indazole (CID 90219551) is 5-(5-bromo-2-nitrophenyl)-1H-indazole.
What is the SMILES notation for 5-(5-bromo-2-nitrophenyl)-1H-indazole?
The canonical SMILES for 5-(5-bromo-2-nitrophenyl)-1H-indazole is O=[N+]([O-])c1ccc(Br)cc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(5-bromo-2-nitrophenyl)-1H-indazole?
The InChIKey is SBDVSODLYHDRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-10-2-4-13(17(18)19)11(6-10)8-1-3-12-9(5-8)7-15-16-12/h1-7H,(H,15,16).
What are the key properties of 5-(5-bromo-2-nitrophenyl)-1H-indazole?
5-(5-bromo-2-nitrophenyl)-1H-indazole has a molecular weight of 318.13 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-nitrophenyl)-1H-indazole is sourced from PubChem (CID 90219551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).