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Home > Boronic Acids > 947179-30-8
947179-30-8 | 2-Methyl-6-((2-methylpyridin-4-yl)carbamoyl)pyridine-4-boronic acid pinacol ester
CAS No: 947179-30-8 Catalog No: AG00IIGV MDL No:MFCD11617871
Product Description
Catalog Number:
AG00IIGV
Chemical Name:
2-Methyl-6-((2-methylpyridin-4-yl)carbamoyl)pyridine-4-boronic acid pinacol ester
CAS Number:
947179-30-8
Molecular Formula:
C19H24BN3O3
Molecular Weight:
353.2232
MDL Number:
MFCD11617871
IUPAC Name:
6-methyl-N-(2-methylpyridin-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
InChI:
InChI=1S/C19H24BN3O3/c1-12-10-15(7-8-21-12)23-17(24)16-11-14(9-13(2)22-16)20-25-18(3,4)19(5,6)26-20/h7-11H,1-6H3,(H,21,23,24)
InChI Key:
PNIMSWKAXUKHIA-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(n1)C(=O)Nc1ccnc(c1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.191g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.229g/mol
Monoisotopic Mass:
353.191g/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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