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Home > Boronic Acids > 936091-08-6
936091-08-6 | 6-((6-Methylpyridin-2-yl)carbamoyl)pyridine-3-boronic acid pinacol ester
CAS No: 936091-08-6 Catalog No: AG00IHP1 MDL No:MFCD13191372
Product Description
Catalog Number:
AG00IHP1
Chemical Name:
6-((6-Methylpyridin-2-yl)carbamoyl)pyridine-3-boronic acid pinacol ester
CAS Number:
936091-08-6
Molecular Formula:
C18H22BN3O3
Molecular Weight:
339.1966
MDL Number:
MFCD13191372
IUPAC Name:
N-(6-methylpyridin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
InChI:
InChI=1S/C18H22BN3O3/c1-12-7-6-8-15(21-12)22-16(23)14-10-9-13(11-20-14)19-24-17(2,3)18(4,5)25-19/h6-11H,1-5H3,(H,21,22,23)
InChI Key:
VYSPNIXTVWMWJD-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)NC(=O)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.175g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.202g/mol
Monoisotopic Mass:
339.175g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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