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

C11H12BrN3O — CID 121228983

IUPAC7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
SMILESBrc1ccnc2cnn(C3CCCCO3)c12
InChIInChI=1S/C11H12BrN3O/c12-8-4-5-13-9-7-14-15(11(8)9)10-3-1-2-6-16-10/h4-5,7,10H,1-3,6H2
InChIKeyRZCVLSJZWMTCCF-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.89
Rot. Bonds1

About 7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine

7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine (PubChem CID 121228983) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
PubChem CID121228983
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
SMILESBrc1ccnc2cnn(C3CCCCO3)c12
InChIInChI=1S/C11H12BrN3O/c12-8-4-5-13-9-7-14-15(11(8)9)10-3-1-2-6-16-10/h4-5,7,10H,1-3,6H2
InChIKeyRZCVLSJZWMTCCF-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 7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine (CID 121228983) is 7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine is Brc1ccnc2cnn(C3CCCCO3)c12.
What is the InChIKey of 7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine?
The InChIKey is RZCVLSJZWMTCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-8-4-5-13-9-7-14-15(11(8)9)10-3-1-2-6-16-10/h4-5,7,10H,1-3,6H2.
What are the key properties of 7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine?
7-bromo-1-(oxan-2-yl)pyrazolo[4,3-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 7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 121228983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).