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256376-65-5

256376-65-5 | 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile

CAS No: 256376-65-5 Catalog No: AG0039HE MDL No:MFCD20268231

Product Description

Catalog Number:
AG0039HE
Chemical Name:
1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
CAS Number:
256376-65-5
Molecular Formula:
C14H9FN4
Molecular Weight:
252.2465
MDL Number:
MFCD20268231
IUPAC Name:
1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C14H9FN4/c15-12-6-2-1-4-10(12)9-19-14-11(5-3-7-17-14)13(8-16)18-19/h1-7H,9H2
InChI Key:
CSUUGTRFBZTTQW-UHFFFAOYSA-N
SMILES:
N#Cc1nn(c2c1cccn2)Cc1ccccc1F

Properties

Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.081g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.252g/mol
Monoisotopic Mass:
252.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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