1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone

C15H9BrFN3O3 — CID 155325102

IUPAC1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone
SMILESCC(=O)c1cc(Br)c2nn(-c3ccc([N+](=O)[O-])cc3F)cc2c1
InChIInChI=1S/C15H9BrFN3O3/c1-8(21)9-4-10-7-19(18-15(10)12(16)5-9)14-3-2-11(20(22)23)6-13(14)17/h2-7H,1H3
InChIKeyASWZVGIEJLPDIA-UHFFFAOYSA-N
MW378.16 g/mol
LogP4.04
Rot. Bonds3

About 1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone

1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone (PubChem CID 155325102) has the molecular formula C15H9BrFN3O3 and a molecular weight of 378.16 g/mol. Its IUPAC name is 1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone
PubChem CID155325102
Molecular FormulaC15H9BrFN3O3
Molecular Weight378.16 g/mol
Exact Mass376.98
IUPAC Name1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone
SMILESCC(=O)c1cc(Br)c2nn(-c3ccc([N+](=O)[O-])cc3F)cc2c1
InChIInChI=1S/C15H9BrFN3O3/c1-8(21)9-4-10-7-19(18-15(10)12(16)5-9)14-3-2-11(20(22)23)6-13(14)17/h2-7H,1H3
InChIKeyASWZVGIEJLPDIA-UHFFFAOYSA-N
XLogP4.04
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.16
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone?
The IUPAC name of 1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone (CID 155325102) is 1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone.
What is the SMILES notation for 1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone?
The canonical SMILES for 1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone is CC(=O)c1cc(Br)c2nn(-c3ccc([N+](=O)[O-])cc3F)cc2c1.
What is the InChIKey of 1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone?
The InChIKey is ASWZVGIEJLPDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3O3/c1-8(21)9-4-10-7-19(18-15(10)12(16)5-9)14-3-2-11(20(22)23)6-13(14)17/h2-7H,1H3.
What are the key properties of 1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone?
1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone has a molecular weight of 378.16 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-bromo-2-(2-fluoro-4-nitrophenyl)indazol-5-yl]ethanone is sourced from PubChem (CID 155325102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).