5-bromo-3-methyl-1-(oxetan-3-yl)indazole

C11H11BrN2O — CID 156503196

IUPAC5-bromo-3-methyl-1-(oxetan-3-yl)indazole
SMILESCc1nn(C2COC2)c2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O/c1-7-10-4-8(12)2-3-11(10)14(13-7)9-5-15-6-9/h2-4,9H,5-6H2,1H3
InChIKeyWDAQVJJFTBXXDB-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.68
Rot. Bonds1

About 5-bromo-3-methyl-1-(oxetan-3-yl)indazole

5-bromo-3-methyl-1-(oxetan-3-yl)indazole (PubChem CID 156503196) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-3-methyl-1-(oxetan-3-yl)indazole.

Molecular Properties

Compound Name5-bromo-3-methyl-1-(oxetan-3-yl)indazole
PubChem CID156503196
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-3-methyl-1-(oxetan-3-yl)indazole
SMILESCc1nn(C2COC2)c2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O/c1-7-10-4-8(12)2-3-11(10)14(13-7)9-5-15-6-9/h2-4,9H,5-6H2,1H3
InChIKeyWDAQVJJFTBXXDB-UHFFFAOYSA-N
XLogP2.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1-(oxetan-3-yl)indazole?
The IUPAC name of 5-bromo-3-methyl-1-(oxetan-3-yl)indazole (CID 156503196) is 5-bromo-3-methyl-1-(oxetan-3-yl)indazole.
What is the SMILES notation for 5-bromo-3-methyl-1-(oxetan-3-yl)indazole?
The canonical SMILES for 5-bromo-3-methyl-1-(oxetan-3-yl)indazole is Cc1nn(C2COC2)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-1-(oxetan-3-yl)indazole?
The InChIKey is WDAQVJJFTBXXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7-10-4-8(12)2-3-11(10)14(13-7)9-5-15-6-9/h2-4,9H,5-6H2,1H3.
What are the key properties of 5-bromo-3-methyl-1-(oxetan-3-yl)indazole?
5-bromo-3-methyl-1-(oxetan-3-yl)indazole has a molecular weight of 267.13 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1-(oxetan-3-yl)indazole is sourced from PubChem (CID 156503196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).