AG004FYR

874290-88-7 | 2-Cyanopyridine-3-boronic acid

AG004FYR

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CAS Number	874290-88-7
Catalog Number	AG004FYR(AGN-PC-078JSZ)
Chemical Name	2-Cyanopyridine-3-boronic acid
IUPAC Name	(2-cyanopyridin-3-yl)boronic acid
InChI	InChI=1S/C6H5BN2O2/c8-4-6-5(7(10)11)2-1-3-9-6/h1-3,10-11H
InChI Key	CXEXJQAXEPPQHH-UHFFFAOYSA-N
MDL Number	MFCD08458475
Molecular Formula	C6H5BN2O2
Molecular Weight	147.9271
SMILES	OB(C1=CC=CN=C1C#N)O
Synonyms	874290-88-7, 2-Cyanopyridine-3-boronic acid, (2-Cyanopyridin-3-yl)boronic acid, 2-Cyano-3-pyridineboronic acid, 2-Cyanopyridin-3-Ylboronic acid, (2-CYANO-3-PYRIDYL)BORONIC ACID, 2-CYANOPYRIDIN-3-YL-3-BORONIC ACID, SCHEMBL1792121, CHEMBL3236613, CTK5F8439, DTXSID10660619, (2-cyano-3-pyridinyl)boronic acid, ABBYPHARMA AP-15-5429, ANW-45602, BBL102085, MFCD08458475, STL555884, AKOS006346312, ZINC169745094, AB45645, QC-6561, RP01553, VP11330, Boronic acid, (2-cyano-3-pyridinyl)-, Boronic acid,B-(2-cyano-3-pyridinyl)-, AN-26762, AS-50571, BC000979, BR-27204, Boronic acid, B-(2-cyano-3-pyridinyl)-, AB0027164, DB-010404, TR-027459, BB 0260912, CS-0054908, FT-0647402, ST24026136, W8969, B-(2-CYANO-3-PYRIDINYL)-BORONIC ACID, D-5038, 290C887, I02-4149, C6H5BN2O2, 2-CYANOPYRIDIN-3-YLBORONICACID, ACN-032534,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.044g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	147.928g/mol
Monoisotopic Mass	148.044g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	77.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number