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Home > Boronic Acids > 947179-31-9
947179-31-9 | 2-((2-Chloropyridin-4-yl)carbamoyl)-6-methylpyridine-4-boronic acid pinacol ester
CAS No: 947179-31-9 Catalog No: AG00IIGW MDL No:MFCD11617872
Product Description
Catalog Number:
AG00IIGW
Chemical Name:
2-((2-Chloropyridin-4-yl)carbamoyl)-6-methylpyridine-4-boronic acid pinacol ester
CAS Number:
947179-31-9
Molecular Formula:
C18H21BClN3O3
Molecular Weight:
373.6416
MDL Number:
MFCD11617872
IUPAC Name:
N-(2-chloropyridin-4-yl)-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
InChI:
InChI=1S/C18H21BClN3O3/c1-11-8-12(19-25-17(2,3)18(4,5)26-19)9-14(22-11)16(24)23-13-6-7-21-15(20)10-13/h6-10H,1-5H3,(H,21,23,24)
InChI Key:
OVDTWSDNBMHNGE-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(n1)C(=O)Nc1ccnc(c1)Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.136g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.644g/mol
Monoisotopic Mass:
373.136g/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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