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1369509-72-7 | 1H-Pyrazolo[3,4-c]pyridine, 5-bromo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 1369509-72-7 Catalog No: AG0012LJ MDL No:MFCD22576507
Product Description
Catalog Number:
AG0012LJ
Chemical Name:
1H-Pyrazolo[3,4-c]pyridine, 5-bromo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1369509-72-7
Molecular Formula:
C11H11BrIN3O
Molecular Weight:
408.0330
MDL Number:
MFCD22576507
IUPAC Name:
5-bromo-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
InChI:
InChI=1S/C11H11BrIN3O/c12-9-5-7-8(6-14-9)16(15-11(7)13)10-3-1-2-4-17-10/h5-6,10H,1-4H2
InChI Key:
MYJZYOIEGCRKAW-UHFFFAOYSA-N
SMILES:
Brc1ncc2c(c1)c(I)nn2C1CCCCO1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.913g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.037g/mol
Monoisotopic Mass:
406.913g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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