3-bromo-1-(oxolan-2-yl)indazole

C11H11BrN2O — CID 175417503

IUPAC3-bromo-1-(oxolan-2-yl)indazole
SMILESBrc1nn(C2CCCO2)c2ccccc12
InChIInChI=1S/C11H11BrN2O/c12-11-8-4-1-2-5-9(8)14(13-11)10-6-3-7-15-10/h1-2,4-5,10H,3,6-7H2
InChIKeySELAMZTZBIAWOG-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.11
Rot. Bonds1

About 3-bromo-1-(oxolan-2-yl)indazole

3-bromo-1-(oxolan-2-yl)indazole (PubChem CID 175417503) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 3-bromo-1-(oxolan-2-yl)indazole.

Molecular Properties

Compound Name3-bromo-1-(oxolan-2-yl)indazole
PubChem CID175417503
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name3-bromo-1-(oxolan-2-yl)indazole
SMILESBrc1nn(C2CCCO2)c2ccccc12
InChIInChI=1S/C11H11BrN2O/c12-11-8-4-1-2-5-9(8)14(13-11)10-6-3-7-15-10/h1-2,4-5,10H,3,6-7H2
InChIKeySELAMZTZBIAWOG-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-1-methyl-1H-indazole
CID 22419368
5-bromo-1-(oxan-2-yl)-1H-indazole
CID 53433826
3-bromo-1-(oxan-2-yl)-1H-indazole
CID 67059754
6-bromo-1-(oxan-2-yl)-1H-indazole
CID 67293240
5-bromo-2,3-dimethyl-2H-indazole
CID 11499567
1-benzyl-3-bromo-1H-indazole
CID 12808210
4-bromo-1,3-dimethyl-1H-indazole
CID 44119453
3-bromo-1-methyl-1H-indazol-6-amine
CID 49761762
6-Bromo-5-fluoro-1-(tetrahydro-2H-pyran-2-YL)-1H-indazole
CID 53395670
4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 57474729
3-bromo-2-methyl-2H-indazole
CID 72207786
3-Bromo-7-fluoro-1-methyl-1H-indazole
CID 83840137

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(oxolan-2-yl)indazole?
The IUPAC name of 3-bromo-1-(oxolan-2-yl)indazole (CID 175417503) is 3-bromo-1-(oxolan-2-yl)indazole.
What is the SMILES notation for 3-bromo-1-(oxolan-2-yl)indazole?
The canonical SMILES for 3-bromo-1-(oxolan-2-yl)indazole is Brc1nn(C2CCCO2)c2ccccc12.
What is the InChIKey of 3-bromo-1-(oxolan-2-yl)indazole?
The InChIKey is SELAMZTZBIAWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-11-8-4-1-2-5-9(8)14(13-11)10-6-3-7-15-10/h1-2,4-5,10H,3,6-7H2.
What are the key properties of 3-bromo-1-(oxolan-2-yl)indazole?
3-bromo-1-(oxolan-2-yl)indazole has a molecular weight of 267.13 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(oxolan-2-yl)indazole is sourced from PubChem (CID 175417503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).