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

C11H12BrN3O — CID 124518406

IUPAC5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
SMILESBrc1cc2cnn([C@@H]3CCCCO3)c2cn1
InChIInChI=1S/C11H12BrN3O/c12-10-5-8-6-14-15(9(8)7-13-10)11-3-1-2-4-16-11/h5-7,11H,1-4H2/t11-/m0/s1
InChIKeyKMGZUXOSYQOTRH-NSHDSACASA-N
MW282.14 g/mol
LogP2.89
Rot. Bonds1

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

5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine (PubChem CID 124518406) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
PubChem CID124518406
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
SMILESBrc1cc2cnn([C@@H]3CCCCO3)c2cn1
InChIInChI=1S/C11H12BrN3O/c12-10-5-8-6-14-15(9(8)7-13-10)11-3-1-2-4-16-11/h5-7,11H,1-4H2/t11-/m0/s1
InChIKeyKMGZUXOSYQOTRH-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

Computed Properties (RDKit)

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

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Related Compounds

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
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
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
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137431
5-benzyl-1-(oxan-2-yl)indazole
CID 156734105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine (CID 124518406) is 5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine is Brc1cc2cnn([C@@H]3CCCCO3)c2cn1.
What is the InChIKey of 5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine?
The InChIKey is KMGZUXOSYQOTRH-NSHDSACASA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-10-5-8-6-14-15(9(8)7-13-10)11-3-1-2-4-16-11/h5-7,11H,1-4H2/t11-/m0/s1.
What are the key properties of 5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine?
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]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-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 124518406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).