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Home > Pyridines > 1268952-43-7
1268952-43-7 | 6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
CAS No: 1268952-43-7 Catalog No: AG01DV5V MDL No:MFCD18499013
Product Description
Catalog Number:
AG01DV5V
Chemical Name:
6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
CAS Number:
1268952-43-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD18499013
IUPAC Name:
6-(1-hydroxy-3-methylbutan-2-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
InChI:
InChI=1S/C12H16N2O2/c1-8(2)11(7-15)14-6-10-9(12(14)16)4-3-5-13-10/h3-5,8,11,15H,6-7H2,1-2H3
InChI Key:
MUHXGYZZXNDURK-UHFFFAOYSA-N
SMILES:
OC[C@H](N1Cc2c(C1=O)cccn2)C(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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