5-bromo-4-chloro-2-(oxetan-3-yl)indazole

C10H8BrClN2O — CID 151735117

IUPAC5-bromo-4-chloro-2-(oxetan-3-yl)indazole
SMILESClc1c(Br)ccc2nn(C3COC3)cc12
InChIInChI=1S/C10H8BrClN2O/c11-8-1-2-9-7(10(8)12)3-14(13-9)6-4-15-5-6/h1-3,6H,4-5H2
InChIKeyRLJFPWCIVSCHCM-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.02
Rot. Bonds1

About 5-bromo-4-chloro-2-(oxetan-3-yl)indazole

5-bromo-4-chloro-2-(oxetan-3-yl)indazole (PubChem CID 151735117) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(oxetan-3-yl)indazole.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(oxetan-3-yl)indazole
PubChem CID151735117
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name5-bromo-4-chloro-2-(oxetan-3-yl)indazole
SMILESClc1c(Br)ccc2nn(C3COC3)cc12
InChIInChI=1S/C10H8BrClN2O/c11-8-1-2-9-7(10(8)12)3-14(13-9)6-4-15-5-6/h1-3,6H,4-5H2
InChIKeyRLJFPWCIVSCHCM-UHFFFAOYSA-N
XLogP3.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(oxetan-3-yl)indazole?
The IUPAC name of 5-bromo-4-chloro-2-(oxetan-3-yl)indazole (CID 151735117) is 5-bromo-4-chloro-2-(oxetan-3-yl)indazole.
What is the SMILES notation for 5-bromo-4-chloro-2-(oxetan-3-yl)indazole?
The canonical SMILES for 5-bromo-4-chloro-2-(oxetan-3-yl)indazole is Clc1c(Br)ccc2nn(C3COC3)cc12.
What is the InChIKey of 5-bromo-4-chloro-2-(oxetan-3-yl)indazole?
The InChIKey is RLJFPWCIVSCHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c11-8-1-2-9-7(10(8)12)3-14(13-9)6-4-15-5-6/h1-3,6H,4-5H2.
What are the key properties of 5-bromo-4-chloro-2-(oxetan-3-yl)indazole?
5-bromo-4-chloro-2-(oxetan-3-yl)indazole has a molecular weight of 287.54 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(oxetan-3-yl)indazole is sourced from PubChem (CID 151735117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).