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

C11H11BrFN3O — CID 169212239

IUPAC6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
SMILESFc1cc2cnn(C3CCCCO3)c2nc1Br
InChIInChI=1S/C11H11BrFN3O/c12-10-8(13)5-7-6-14-16(11(7)15-10)9-3-1-2-4-17-9/h5-6,9H,1-4H2
InChIKeyCNGGLKOYDGAQCT-UHFFFAOYSA-N
MW300.13 g/mol
LogP3.03
Rot. Bonds1

About 6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine

6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine (PubChem CID 169212239) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
PubChem CID169212239
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
SMILESFc1cc2cnn(C3CCCCO3)c2nc1Br
InChIInChI=1S/C11H11BrFN3O/c12-10-8(13)5-7-6-14-16(11(7)15-10)9-3-1-2-4-17-9/h5-6,9H,1-4H2
InChIKeyCNGGLKOYDGAQCT-UHFFFAOYSA-N
XLogP3.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 53.03
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

5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole
CID 129379553
1-(oxan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazolo[3,4-b]pyridine
CID 172739389
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
1-[(2S)-oxan-2-yl]indazole
CID 124562379
6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine
CID 124518404
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481
7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
CID 167157773
6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 118893705
6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine
CID 171066775

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine (CID 169212239) is 6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine is Fc1cc2cnn(C3CCCCO3)c2nc1Br.
What is the InChIKey of 6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
The InChIKey is CNGGLKOYDGAQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c12-10-8(13)5-7-6-14-16(11(7)15-10)9-3-1-2-4-17-9/h5-6,9H,1-4H2.
What are the key properties of 6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine has a molecular weight of 300.13 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 169212239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).