5-bromo-3-(oxetan-3-yl)-2H-indazole

C10H9BrN2O — CID 162528920

IUPAC5-bromo-3-(oxetan-3-yl)-2H-indazole
SMILESBrc1ccc2n[nH]c(C3COC3)c2c1
InChIInChI=1S/C10H9BrN2O/c11-7-1-2-9-8(3-7)10(13-12-9)6-4-14-5-6/h1-3,6H,4-5H2,(H,12,13)
InChIKeyJATCCDTVZCWTHG-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.44
Rot. Bonds1

About 5-bromo-3-(oxetan-3-yl)-2H-indazole

5-bromo-3-(oxetan-3-yl)-2H-indazole (PubChem CID 162528920) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-bromo-3-(oxetan-3-yl)-2H-indazole.

Molecular Properties

Compound Name5-bromo-3-(oxetan-3-yl)-2H-indazole
PubChem CID162528920
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name5-bromo-3-(oxetan-3-yl)-2H-indazole
SMILESBrc1ccc2n[nH]c(C3COC3)c2c1
InChIInChI=1S/C10H9BrN2O/c11-7-1-2-9-8(3-7)10(13-12-9)6-4-14-5-6/h1-3,6H,4-5H2,(H,12,13)
InChIKeyJATCCDTVZCWTHG-UHFFFAOYSA-N
XLogP2.44
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(oxetan-3-yl)-2H-indazole?
The IUPAC name of 5-bromo-3-(oxetan-3-yl)-2H-indazole (CID 162528920) is 5-bromo-3-(oxetan-3-yl)-2H-indazole.
What is the SMILES notation for 5-bromo-3-(oxetan-3-yl)-2H-indazole?
The canonical SMILES for 5-bromo-3-(oxetan-3-yl)-2H-indazole is Brc1ccc2n[nH]c(C3COC3)c2c1.
What is the InChIKey of 5-bromo-3-(oxetan-3-yl)-2H-indazole?
The InChIKey is JATCCDTVZCWTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-7-1-2-9-8(3-7)10(13-12-9)6-4-14-5-6/h1-3,6H,4-5H2,(H,12,13).
What are the key properties of 5-bromo-3-(oxetan-3-yl)-2H-indazole?
5-bromo-3-(oxetan-3-yl)-2H-indazole has a molecular weight of 253.10 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(oxetan-3-yl)-2H-indazole is sourced from PubChem (CID 162528920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).