Home Nitriles 2-(Methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile

2-(Methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile

CAS No.:
1346809-48-0
Catalog Number:
AG00HTRQ
Molecular Formula:
C13H18BN3O2
Molecular Weight:
259.1119
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Product Description
Catalog Number:
AG00HTRQ
Chemical Name:
2-(Methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
CAS Number:
1346809-48-0
Molecular Formula:
C13H18BN3O2
Molecular Weight:
259.1119
MDL Number:
MFCD16995277
IUPAC Name:
2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)10-6-9(7-15)11(16-5)17-8-10/h6,8H,1-5H3,(H,16,17)
InChI Key:
GEGXZWJZOPSEMJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cnc1NC)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.149g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.116g/mol
Monoisotopic Mass:
259.149g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties