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Home > Boronic Acids > 947179-32-0
947179-32-0 | 2-Methyl-6-((1-methyl-1H-pyrazol-3-yl)carbamoyl)pyridine-4-boronic acid pinacol ester
CAS No: 947179-32-0 Catalog No: AG00IIGX MDL No:MFCD11617873
Product Description
Catalog Number:
AG00IIGX
Chemical Name:
2-Methyl-6-((1-methyl-1H-pyrazol-3-yl)carbamoyl)pyridine-4-boronic acid pinacol ester
CAS Number:
947179-32-0
Molecular Formula:
C17H23BN4O3
Molecular Weight:
342.2005
MDL Number:
MFCD11617873
IUPAC Name:
6-methyl-N-(1-methylpyrazol-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
InChI:
InChI=1S/C17H23BN4O3/c1-11-9-12(18-24-16(2,3)17(4,5)25-18)10-13(19-11)15(23)20-14-7-8-22(6)21-14/h7-10H,1-6H3,(H,20,21,23)
InChI Key:
PYLYNLBYXADNMZ-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(n1)C(=O)Nc1ccn(n1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.186g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.206g/mol
Monoisotopic Mass:
342.186g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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