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Home > Pyridines > 116835-13-3
116835-13-3 | 4-HYDROXY-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBONITRILE
CAS No: 116835-13-3 Catalog No: AG01DV0S MDL No:MFCD16620069
Product Description
Catalog Number:
AG01DV0S
Chemical Name:
4-HYDROXY-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBONITRILE
CAS Number:
116835-13-3
Molecular Formula:
C8H6N4O
Molecular Weight:
174.1594
MDL Number:
MFCD16620069
IUPAC Name:
1-methyl-4-oxo-7H-pyrazolo[3,4-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C8H6N4O/c1-12-8-6(4-11-12)7(13)5(2-9)3-10-8/h3-4H,1H3,(H,10,13)
InChI Key:
NKDSEKUUMPAYNS-UHFFFAOYSA-N
SMILES:
Cn1ncc2c1ncc(c2O)C#N
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.163g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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