5-(3-bromophenyl)-1-phenylindazole

C19H13BrN2 — CID 142744531

IUPAC5-(3-bromophenyl)-1-phenylindazole
SMILESBrc1cccc(-c2ccc3c(cnn3-c3ccccc3)c2)c1
InChIInChI=1S/C19H13BrN2/c20-17-6-4-5-14(12-17)15-9-10-19-16(11-15)13-21-22(19)18-7-2-1-3-8-18/h1-13H
InChIKeyQGDWKGZOJRIIMV-UHFFFAOYSA-N
MW349.23 g/mol
LogP5.45
Rot. Bonds2

About 5-(3-bromophenyl)-1-phenylindazole

5-(3-bromophenyl)-1-phenylindazole (PubChem CID 142744531) has the molecular formula C19H13BrN2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1-phenylindazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-1-phenylindazole
PubChem CID142744531
Molecular FormulaC19H13BrN2
Molecular Weight349.23 g/mol
Exact Mass348.03
IUPAC Name5-(3-bromophenyl)-1-phenylindazole
SMILESBrc1cccc(-c2ccc3c(cnn3-c3ccccc3)c2)c1
InChIInChI=1S/C19H13BrN2/c20-17-6-4-5-14(12-17)15-9-10-19-16(11-15)13-21-22(19)18-7-2-1-3-8-18/h1-13H
InChIKeyQGDWKGZOJRIIMV-UHFFFAOYSA-N
XLogP5.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1-phenylindazole?
The IUPAC name of 5-(3-bromophenyl)-1-phenylindazole (CID 142744531) is 5-(3-bromophenyl)-1-phenylindazole.
What is the SMILES notation for 5-(3-bromophenyl)-1-phenylindazole?
The canonical SMILES for 5-(3-bromophenyl)-1-phenylindazole is Brc1cccc(-c2ccc3c(cnn3-c3ccccc3)c2)c1.
What is the InChIKey of 5-(3-bromophenyl)-1-phenylindazole?
The InChIKey is QGDWKGZOJRIIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2/c20-17-6-4-5-14(12-17)15-9-10-19-16(11-15)13-21-22(19)18-7-2-1-3-8-18/h1-13H.
What are the key properties of 5-(3-bromophenyl)-1-phenylindazole?
5-(3-bromophenyl)-1-phenylindazole has a molecular weight of 349.23 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1-phenylindazole is sourced from PubChem (CID 142744531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).