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Home > Boronic Acids > 1356068-53-5
1356068-53-5 | 2-(Piperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
CAS No: 1356068-53-5 Catalog No: AG007L9S MDL No:MFCD18434468
Product Description
Catalog Number:
AG007L9S
Chemical Name:
2-(Piperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
CAS Number:
1356068-53-5
Molecular Formula:
C17H24BN3O2
Molecular Weight:
313.2024
MDL Number:
MFCD18434468
IUPAC Name:
2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C17H24BN3O2/c1-16(2)17(3,4)23-18(22-16)14-10-13(11-19)15(20-12-14)21-8-6-5-7-9-21/h10,12H,5-9H2,1-4H3
InChI Key:
QCRHFVYELHMBLL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cnc1N1CCCCC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.196g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.208g/mol
Monoisotopic Mass:
313.196g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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