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1416713-33-1 | 1H-Pyrazolo[3,4-b]pyridine, 3-bromo-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 1416713-33-1 Catalog No: AG001GUC MDL No:MFCD22689751
Product Description
Catalog Number:
AG001GUC
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 3-bromo-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1416713-33-1
Molecular Formula:
C11H12BrN3O
Molecular Weight:
282.1365
MDL Number:
MFCD22689751
IUPAC Name:
3-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
InChI:
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
InChI Key:
SWWVASLRSRLYJD-UHFFFAOYSA-N
SMILES:
Brc1nn(c2c1cccn2)C1CCCCO1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.141g/mol
Monoisotopic Mass:
281.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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