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

C11H12BrN3O — CID 124518404

IUPAC6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine
SMILESBrc1cnc2cnn([C@@H]3CCCCO3)c2c1
InChIInChI=1S/C11H12BrN3O/c12-8-5-10-9(13-6-8)7-14-15(10)11-3-1-2-4-16-11/h5-7,11H,1-4H2/t11-/m0/s1
InChIKeySCRSCJLITQRXRG-NSHDSACASA-N
MW282.14 g/mol
LogP2.89
Rot. Bonds1

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

6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine (PubChem CID 124518404) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine
PubChem CID124518404
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine
SMILESBrc1cnc2cnn([C@@H]3CCCCO3)c2c1
InChIInChI=1S/C11H12BrN3O/c12-8-5-10-9(13-6-8)7-14-15(10)11-3-1-2-4-16-11/h5-7,11H,1-4H2/t11-/m0/s1
InChIKeySCRSCJLITQRXRG-NSHDSACASA-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 6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine (CID 124518404) is 6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine is Brc1cnc2cnn([C@@H]3CCCCO3)c2c1.
What is the InChIKey of 6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine?
The InChIKey is SCRSCJLITQRXRG-NSHDSACASA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-8-5-10-9(13-6-8)7-14-15(10)11-3-1-2-4-16-11/h5-7,11H,1-4H2/t11-/m0/s1.
What are the key properties of 6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine?
6-bromo-1-[(2S)-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 6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 124518404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).