5-(5-bromo-2-nitrophenyl)-2-phenylindazole

C19H12BrN3O2 — CID 118144266

IUPAC5-(5-bromo-2-nitrophenyl)-2-phenylindazole
SMILESO=[N+]([O-])c1ccc(Br)cc1-c1ccc2nn(-c3ccccc3)cc2c1
InChIInChI=1S/C19H12BrN3O2/c20-15-7-9-19(23(24)25)17(11-15)13-6-8-18-14(10-13)12-22(21-18)16-4-2-1-3-5-16/h1-12H
InChIKeyGYUBLUCVDVTADM-UHFFFAOYSA-N
MW394.23 g/mol
LogP5.36
Rot. Bonds3

About 5-(5-bromo-2-nitrophenyl)-2-phenylindazole

5-(5-bromo-2-nitrophenyl)-2-phenylindazole (PubChem CID 118144266) has the molecular formula C19H12BrN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is 5-(5-bromo-2-nitrophenyl)-2-phenylindazole.

Molecular Properties

Compound Name5-(5-bromo-2-nitrophenyl)-2-phenylindazole
PubChem CID118144266
Molecular FormulaC19H12BrN3O2
Molecular Weight394.23 g/mol
Exact Mass393.01
IUPAC Name5-(5-bromo-2-nitrophenyl)-2-phenylindazole
SMILESO=[N+]([O-])c1ccc(Br)cc1-c1ccc2nn(-c3ccccc3)cc2c1
InChIInChI=1S/C19H12BrN3O2/c20-15-7-9-19(23(24)25)17(11-15)13-6-8-18-14(10-13)12-22(21-18)16-4-2-1-3-5-16/h1-12H
InChIKeyGYUBLUCVDVTADM-UHFFFAOYSA-N
XLogP5.36
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.23
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-(5-bromo-2-nitrophenyl)-2-phenylindazole?
The IUPAC name of 5-(5-bromo-2-nitrophenyl)-2-phenylindazole (CID 118144266) is 5-(5-bromo-2-nitrophenyl)-2-phenylindazole.
What is the SMILES notation for 5-(5-bromo-2-nitrophenyl)-2-phenylindazole?
The canonical SMILES for 5-(5-bromo-2-nitrophenyl)-2-phenylindazole is O=[N+]([O-])c1ccc(Br)cc1-c1ccc2nn(-c3ccccc3)cc2c1.
What is the InChIKey of 5-(5-bromo-2-nitrophenyl)-2-phenylindazole?
The InChIKey is GYUBLUCVDVTADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O2/c20-15-7-9-19(23(24)25)17(11-15)13-6-8-18-14(10-13)12-22(21-18)16-4-2-1-3-5-16/h1-12H.
What are the key properties of 5-(5-bromo-2-nitrophenyl)-2-phenylindazole?
5-(5-bromo-2-nitrophenyl)-2-phenylindazole has a molecular weight of 394.23 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-nitrophenyl)-2-phenylindazole is sourced from PubChem (CID 118144266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).