AG0016B5

1218791-02-6 | 2-(1H-Pyrazol-1-yl)pyridine-5-boronic acid, pinacol ester

AG0016B5

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CAS Number	1218791-02-6
Catalog Number	AG0016B5(AGN-PC-0WA4WM)
Chemical Name	2-(1H-Pyrazol-1-yl)pyridine-5-boronic acid, pinacol ester
IUPAC Name	2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI	InChI=1S/C14H18BN3O2/c1-13(2)14(3,4)20-15(19-13)11-6-7-12(16-10-11)18-9-5-8-17-18/h5-10H,1-4H3
InChI Key	UIWNUNKQDKRSSS-UHFFFAOYSA-N
MDL Number	MFCD11878223
Molecular Formula	C14H18BN3O2
Molecular Weight	271.1226
SMILES	CC1(C)OB(OC1(C)C)C1=CN=C(C=C1)N1C=CC=N1
Synonyms	1218791-02-6, 2-(1H-Pyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 2-(1H-PYRAZOL-1-YL)PYRIDINE-5-BORONIC ACID, PINACOL ESTER, UIWNUNKQDKRSSS-UHFFFAOYSA-N, SCHEMBL860013, CTK8B6905, DTXSID30681942, ANW-54793, MFCD11878223, AKOS016001224, ZINC169935472, FCH2841792, FS-6011, MB10902, DA-47128, OR361569, AX8240052, FT-0707543, B-2854, 2-(1H-Pyrazol-1-yl)pyridine-5-boronic acid,pinacol ester, 2-PYRAZOL-1-YL-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE, Pyridine, 2-(1H-pyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 2-(1H-Pyrazol-1-yl)pyridine-5-boronic acid pinacol ester,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.149g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.127g/mol
Monoisotopic Mass	271.149g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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