3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole

C19H12BrFN2O — CID 11280529

IUPAC3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole
SMILESFc1ccccc1Oc1ccc2c(-c3ccc(Br)cc3)n[nH]c2c1
InChIInChI=1S/C19H12BrFN2O/c20-13-7-5-12(6-8-13)19-15-10-9-14(11-17(15)22-23-19)24-18-4-2-1-3-16(18)21/h1-11H,(H,22,23)
InChIKeyCAGGOFGRAGYZDW-UHFFFAOYSA-N
MW383.22 g/mol
LogP5.92
Rot. Bonds3

About 3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole

3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole (PubChem CID 11280529) has the molecular formula C19H12BrFN2O and a molecular weight of 383.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole
PubChem CID11280529
Molecular FormulaC19H12BrFN2O
Molecular Weight383.22 g/mol
Exact Mass382.01
IUPAC Name3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole
SMILESFc1ccccc1Oc1ccc2c(-c3ccc(Br)cc3)n[nH]c2c1
InChIInChI=1S/C19H12BrFN2O/c20-13-7-5-12(6-8-13)19-15-10-9-14(11-17(15)22-23-19)24-18-4-2-1-3-16(18)21/h1-11H,(H,22,23)
InChIKeyCAGGOFGRAGYZDW-UHFFFAOYSA-N
XLogP5.92
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.22
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole?
The IUPAC name of 3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole (CID 11280529) is 3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole.
What is the SMILES notation for 3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole?
The canonical SMILES for 3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole is Fc1ccccc1Oc1ccc2c(-c3ccc(Br)cc3)n[nH]c2c1.
What is the InChIKey of 3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole?
The InChIKey is CAGGOFGRAGYZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN2O/c20-13-7-5-12(6-8-13)19-15-10-9-14(11-17(15)22-23-19)24-18-4-2-1-3-16(18)21/h1-11H,(H,22,23).
What are the key properties of 3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole?
3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole has a molecular weight of 383.22 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-(2-fluorophenoxy)-1H-indazole is sourced from PubChem (CID 11280529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).