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1086393-45-4 | 1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CAS No: 1086393-45-4 Catalog No: AG01BFAL MDL No:MFCD11053771
Product Description
Catalog Number:
AG01BFAL
Chemical Name:
1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CAS Number:
1086393-45-4
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
MDL Number:
MFCD11053771
IUPAC Name:
1-methylpyrazolo[3,4-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C8H6N4/c1-12-8-7(5-11-12)2-6(3-9)4-10-8/h2,4-5H,1H3
InChI Key:
BFPMVMVRDDHKCN-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)cnn2C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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