3-benzyl-5-bromo-2H-indazole

C14H11BrN2 — CID 66915538

IUPAC3-benzyl-5-bromo-2H-indazole
SMILESBrc1ccc2n[nH]c(Cc3ccccc3)c2c1
InChIInChI=1S/C14H11BrN2/c15-11-6-7-13-12(9-11)14(17-16-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChIKeyXZGLKWQQDKSHCK-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.92
Rot. Bonds2

About 3-benzyl-5-bromo-2H-indazole

3-benzyl-5-bromo-2H-indazole (PubChem CID 66915538) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-benzyl-5-bromo-2H-indazole.

Molecular Properties

Compound Name3-benzyl-5-bromo-2H-indazole
PubChem CID66915538
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name3-benzyl-5-bromo-2H-indazole
SMILESBrc1ccc2n[nH]c(Cc3ccccc3)c2c1
InChIInChI=1S/C14H11BrN2/c15-11-6-7-13-12(9-11)14(17-16-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChIKeyXZGLKWQQDKSHCK-UHFFFAOYSA-N
XLogP3.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-bromo-2H-indazole?
The IUPAC name of 3-benzyl-5-bromo-2H-indazole (CID 66915538) is 3-benzyl-5-bromo-2H-indazole.
What is the SMILES notation for 3-benzyl-5-bromo-2H-indazole?
The canonical SMILES for 3-benzyl-5-bromo-2H-indazole is Brc1ccc2n[nH]c(Cc3ccccc3)c2c1.
What is the InChIKey of 3-benzyl-5-bromo-2H-indazole?
The InChIKey is XZGLKWQQDKSHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-11-6-7-13-12(9-11)14(17-16-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17).
What are the key properties of 3-benzyl-5-bromo-2H-indazole?
3-benzyl-5-bromo-2H-indazole has a molecular weight of 287.16 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-bromo-2H-indazole is sourced from PubChem (CID 66915538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).