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

C11H12BrN3O — CID 91663938

IUPAC3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
SMILESBrc1nn(C2CCCCO2)c2ncccc12
InChIInChI=1S/C11H12BrN3O/c12-10-8-4-3-6-13-11(8)15(14-10)9-5-1-2-7-16-9/h3-4,6,9H,1-2,5,7H2
InChIKeySWWVASLRSRLYJD-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.89
Rot. Bonds1

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

3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 91663938) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID91663938
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
SMILESBrc1nn(C2CCCCO2)c2ncccc12
InChIInChI=1S/C11H12BrN3O/c12-10-8-4-3-6-13-11(8)15(14-10)9-5-1-2-7-16-9/h3-4,6,9H,1-2,5,7H2
InChIKeySWWVASLRSRLYJD-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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Related Compounds

3-bromo-7-fluoro-1-(oxan-2-yl)indazole
CID 151478980
3-bromo-1-(oxolan-2-yl)indazole
CID 175417503
4-bromo-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 121228915
5-bromo-3-[4-(3-methyl-2-pyridinyl)phenyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 170545992
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 131697629
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
CID 168525467
3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228857
2-[(2S)-oxan-2-yl]pyrazole-3-carbonitrile
CID 129410450
3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 141132128
3-chloro-1-(oxan-2-yl)indazole
CID 66909910

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine (CID 91663938) is 3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine is Brc1nn(C2CCCCO2)c2ncccc12.
What is the InChIKey of 3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is SWWVASLRSRLYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-10-8-4-3-6-13-11(8)15(14-10)9-5-1-2-7-16-9/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
3-bromo-1-(oxan-2-yl)pyrazolo[5,4-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 3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 91663938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).