4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole

C13H7BrFN3O — CID 89079859

IUPAC4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole
SMILESO=Nc1cc(-c2ccccc2F)c(Br)c2cn[nH]c12
InChIInChI=1S/C13H7BrFN3O/c14-12-8(7-3-1-2-4-10(7)15)5-11(18-19)13-9(12)6-16-17-13/h1-6H,(H,16,17)
InChIKeyABLLZPWEBGDFOR-UHFFFAOYSA-N
MW320.12 g/mol
LogP4.53
Rot. Bonds2

About 4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole

4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole (PubChem CID 89079859) has the molecular formula C13H7BrFN3O and a molecular weight of 320.12 g/mol. Its IUPAC name is 4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole.

Molecular Properties

Compound Name4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole
PubChem CID89079859
Molecular FormulaC13H7BrFN3O
Molecular Weight320.12 g/mol
Exact Mass318.98
IUPAC Name4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole
SMILESO=Nc1cc(-c2ccccc2F)c(Br)c2cn[nH]c12
InChIInChI=1S/C13H7BrFN3O/c14-12-8(7-3-1-2-4-10(7)15)5-11(18-19)13-9(12)6-16-17-13/h1-6H,(H,16,17)
InChIKeyABLLZPWEBGDFOR-UHFFFAOYSA-N
XLogP4.53
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole?
The IUPAC name of 4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole (CID 89079859) is 4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole.
What is the SMILES notation for 4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole?
The canonical SMILES for 4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole is O=Nc1cc(-c2ccccc2F)c(Br)c2cn[nH]c12.
What is the InChIKey of 4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole?
The InChIKey is ABLLZPWEBGDFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O/c14-12-8(7-3-1-2-4-10(7)15)5-11(18-19)13-9(12)6-16-17-13/h1-6H,(H,16,17).
What are the key properties of 4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole?
4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole has a molecular weight of 320.12 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole is sourced from PubChem (CID 89079859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).