5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine

C11H12BrN3O — CID 58378064

IUPAC5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
SMILESBrc1cnc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C11H12BrN3O/c12-9-5-8-6-14-15(11(8)13-7-9)10-3-1-2-4-16-10/h5-7,10H,1-4H2
InChIKeyHTQOXVPILZLCSJ-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.89
Rot. Bonds1

About 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine

5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine (PubChem CID 58378064) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
PubChem CID58378064
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
SMILESBrc1cnc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C11H12BrN3O/c12-9-5-8-6-14-15(11(8)13-7-9)10-3-1-2-4-16-10/h5-7,10H,1-4H2
InChIKeyHTQOXVPILZLCSJ-UHFFFAOYSA-N
XLogP2.89
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine (CID 58378064) is 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine is Brc1cnc2c(cnn2C2CCCCO2)c1.
What is the InChIKey of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
The InChIKey is HTQOXVPILZLCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-9-5-8-6-14-15(11(8)13-7-9)10-3-1-2-4-16-10/h5-7,10H,1-4H2.
What are the key properties of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine has a molecular weight of 282.14 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 58378064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).