5-bromo-1-(oxetan-3-ylmethyl)indazole

C11H11BrN2O — CID 166147252

IUPAC5-bromo-1-(oxetan-3-ylmethyl)indazole
SMILESBrc1ccc2c(cnn2CC2COC2)c1
InChIInChI=1S/C11H11BrN2O/c12-10-1-2-11-9(3-10)4-13-14(11)5-8-6-15-7-8/h1-4,8H,5-7H2
InChIKeyPDUGUQMGPAECTH-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.45
Rot. Bonds2

About 5-bromo-1-(oxetan-3-ylmethyl)indazole

5-bromo-1-(oxetan-3-ylmethyl)indazole (PubChem CID 166147252) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-1-(oxetan-3-ylmethyl)indazole.

Molecular Properties

Compound Name5-bromo-1-(oxetan-3-ylmethyl)indazole
PubChem CID166147252
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-1-(oxetan-3-ylmethyl)indazole
SMILESBrc1ccc2c(cnn2CC2COC2)c1
InChIInChI=1S/C11H11BrN2O/c12-10-1-2-11-9(3-10)4-13-14(11)5-8-6-15-7-8/h1-4,8H,5-7H2
InChIKeyPDUGUQMGPAECTH-UHFFFAOYSA-N
XLogP2.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxetan-3-ylmethyl)indazole?
The IUPAC name of 5-bromo-1-(oxetan-3-ylmethyl)indazole (CID 166147252) is 5-bromo-1-(oxetan-3-ylmethyl)indazole.
What is the SMILES notation for 5-bromo-1-(oxetan-3-ylmethyl)indazole?
The canonical SMILES for 5-bromo-1-(oxetan-3-ylmethyl)indazole is Brc1ccc2c(cnn2CC2COC2)c1.
What is the InChIKey of 5-bromo-1-(oxetan-3-ylmethyl)indazole?
The InChIKey is PDUGUQMGPAECTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-10-1-2-11-9(3-10)4-13-14(11)5-8-6-15-7-8/h1-4,8H,5-7H2.
What are the key properties of 5-bromo-1-(oxetan-3-ylmethyl)indazole?
5-bromo-1-(oxetan-3-ylmethyl)indazole has a molecular weight of 267.13 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxetan-3-ylmethyl)indazole is sourced from PubChem (CID 166147252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).