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

C11H12BrN3O — CID 118798481

IUPAC5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
SMILESBrc1ccc2c(cnn2C2CCCCO2)n1
InChIInChI=1S/C11H12BrN3O/c12-10-5-4-9-8(14-10)7-13-15(9)11-3-1-2-6-16-11/h4-5,7,11H,1-3,6H2
InChIKeyPBDUEFMOFFHFST-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.89
Rot. Bonds1

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

5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine (PubChem CID 118798481) 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[4,5-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
PubChem CID118798481
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
SMILESBrc1ccc2c(cnn2C2CCCCO2)n1
InChIInChI=1S/C11H12BrN3O/c12-10-5-4-9-8(14-10)7-13-15(9)11-3-1-2-6-16-11/h4-5,7,11H,1-3,6H2
InChIKeyPBDUEFMOFFHFST-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine
CID 124518404
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
1-[(2S)-oxan-2-yl]indazole
CID 124562379
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228983
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 121228913
1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-6-amine
CID 59276653
6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 121228968

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine (CID 118798481) is 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine is Brc1ccc2c(cnn2C2CCCCO2)n1.
What is the InChIKey of 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine?
The InChIKey is PBDUEFMOFFHFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-10-5-4-9-8(14-10)7-13-15(9)11-3-1-2-6-16-11/h4-5,7,11H,1-3,6H2.
What are the key properties of 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine?
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-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[4,5-b]pyridine is sourced from PubChem (CID 118798481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).