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

C13H7BrFN3O2 — CID 58834839

IUPAC4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole
SMILESO=[N+]([O-])c1cc(-c2ccccc2F)c(Br)c2cn[nH]c12
InChIInChI=1S/C13H7BrFN3O2/c14-12-8(7-3-1-2-4-10(7)15)5-11(18(19)20)13-9(12)6-16-17-13/h1-6H,(H,16,17)
InChIKeyLXHXSKYPKUCBIF-UHFFFAOYSA-N
MW336.12 g/mol
LogP4.04
Rot. Bonds2

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

4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole (PubChem CID 58834839) has the molecular formula C13H7BrFN3O2 and a molecular weight of 336.12 g/mol. Its IUPAC name is 4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole.

Molecular Properties

Compound Name4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole
PubChem CID58834839
Molecular FormulaC13H7BrFN3O2
Molecular Weight336.12 g/mol
Exact Mass334.97
IUPAC Name4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole
SMILESO=[N+]([O-])c1cc(-c2ccccc2F)c(Br)c2cn[nH]c12
InChIInChI=1S/C13H7BrFN3O2/c14-12-8(7-3-1-2-4-10(7)15)5-11(18(19)20)13-9(12)6-16-17-13/h1-6H,(H,16,17)
InChIKeyLXHXSKYPKUCBIF-UHFFFAOYSA-N
XLogP4.04
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole?
The IUPAC name of 4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole (CID 58834839) is 4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole.
What is the SMILES notation for 4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole?
The canonical SMILES for 4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole is O=[N+]([O-])c1cc(-c2ccccc2F)c(Br)c2cn[nH]c12.
What is the InChIKey of 4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole?
The InChIKey is LXHXSKYPKUCBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O2/c14-12-8(7-3-1-2-4-10(7)15)5-11(18(19)20)13-9(12)6-16-17-13/h1-6H,(H,16,17).
What are the key properties of 4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole?
4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole has a molecular weight of 336.12 g/mol, XLogP of 4.04, 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-nitro-1H-indazole is sourced from PubChem (CID 58834839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).