7-bromo-1-(oxan-2-yl)indazole

C12H13BrN2O — CID 138754783

IUPAC7-bromo-1-(oxan-2-yl)indazole
SMILESBrc1cccc2cnn(C3CCCCO3)c12
InChIInChI=1S/C12H13BrN2O/c13-10-5-3-4-9-8-14-15(12(9)10)11-6-1-2-7-16-11/h3-5,8,11H,1-2,6-7H2
InChIKeyGDUNQMVBIWXPEQ-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.50
Rot. Bonds1

About 7-bromo-1-(oxan-2-yl)indazole

7-bromo-1-(oxan-2-yl)indazole (PubChem CID 138754783) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 7-bromo-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name7-bromo-1-(oxan-2-yl)indazole
PubChem CID138754783
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name7-bromo-1-(oxan-2-yl)indazole
SMILESBrc1cccc2cnn(C3CCCCO3)c12
InChIInChI=1S/C12H13BrN2O/c13-10-5-3-4-9-8-14-15(12(9)10)11-6-1-2-7-16-11/h3-5,8,11H,1-2,6-7H2
InChIKeyGDUNQMVBIWXPEQ-UHFFFAOYSA-N
XLogP3.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(oxan-2-yl)indazole?
The IUPAC name of 7-bromo-1-(oxan-2-yl)indazole (CID 138754783) is 7-bromo-1-(oxan-2-yl)indazole.
What is the SMILES notation for 7-bromo-1-(oxan-2-yl)indazole?
The canonical SMILES for 7-bromo-1-(oxan-2-yl)indazole is Brc1cccc2cnn(C3CCCCO3)c12.
What is the InChIKey of 7-bromo-1-(oxan-2-yl)indazole?
The InChIKey is GDUNQMVBIWXPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-10-5-3-4-9-8-14-15(12(9)10)11-6-1-2-7-16-11/h3-5,8,11H,1-2,6-7H2.
What are the key properties of 7-bromo-1-(oxan-2-yl)indazole?
7-bromo-1-(oxan-2-yl)indazole has a molecular weight of 281.15 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(oxan-2-yl)indazole is sourced from PubChem (CID 138754783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).