AG0015N7

1217340-94-7 | Boronic acid, B-[6-[(methylamino)carbonyl]-3-pyridinyl]-

AG0015N7

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CAS Number	1217340-94-7
Catalog Number	AG0015N7(AGN-PC-0JF3XM)
Chemical Name	Boronic acid, B-[6-[(methylamino)carbonyl]-3-pyridinyl]-
IUPAC Name	[6-(methylcarbamoyl)pyridin-3-yl]boronic acid
InChI	InChI=1S/C7H9BN2O3/c1-9-7(11)6-3-2-5(4-10-6)8(12)13/h2-4,12-13H,1H3,(H,9,11)
InChI Key	MWDGTPAHKOWCSY-UHFFFAOYSA-N
MDL Number	MFCD08458474
Molecular Formula	C7H9BN2O3
Molecular Weight	179.9690
SMILES	O=C(C1=CC=C(B(O)O)C=N1)NC
Synonyms	(6-(Methylcarbamoyl)pyridin-3-yl)boronic acid, 1217340-94-7, [6-(methylcarbamoyl)pyridin-3-yl]boronic acid, SCHEMBL15465986, DTXSID90855763, MWDGTPAHKOWCSY-UHFFFAOYSA-N, 3959AA, MFCD08458474, AKOS016010686, ZINC169989568, FCH1167155, AK119357, AX8244773, [6-(methylcarbamoyl)-3-pyridyl]boronic acid, FT-0757377, [6-(methylcarbamoyl)-3-pyridinyl]boronic acid, 2-(N-methylaminocarbonyl)pyridine-5-boronic acid, 6-(methylcarbamoyl)pyridin-3-yl-3-boronic acid, 6-(N-Methylamidocarboxy)pyridine-3-boronic acid, Boronic acid, B-[6-[(methylamino)carbonyl]-3-pyridinyl]-, C7H9BN2O3, (6-(Methylcarbamoyl)pyridin-3-yl)boronicacid,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.071g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	179.97g/mol
Monoisotopic Mass	180.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	82.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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