AG0035V5

374633-37-1 | 2-Bromo-5-cyano-3-picoline

AG0035V5

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CAS Number	374633-37-1
Catalog Number	AG0035V5(AGN-PC-04YNL0)
Chemical Name	2-Bromo-5-cyano-3-picoline
IUPAC Name	6-bromo-5-methylpyridine-3-carbonitrile
InChI	InChI=1S/C7H5BrN2/c1-5-2-6(3-9)4-10-7(5)8/h2,4H,1H3
InChI Key	JECOSEMUVCECAL-UHFFFAOYSA-N
MDL Number	MFCD03095063
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	BrC1=NC=C(C=C1C)C#N
Synonyms	2-Bromo-5-cyano-3-picoline, 374633-37-1, 6-bromo-5-methylnicotinonitrile, 6-bromo-5-methylpyridine-3-carbonitrile, 6-bromo-5-methyl-3-pyridinecarbonitrile, AK-25047, 2-BROMO-5-CYANO-3-METHYLPYRIDINE, PubChem1291, SCHEMBL1459015, KS-00000EKJ, DTXSID70649581, FCH846893, MFCD03095063, ZINC12496056, AKOS006278866, CS-W019876, GS-4094, QC-6508, RP25497, 3-Pyridinecarbonitrile,6-bromo-5-methyl-, AJ-62432, BBV-38283132, BC002136, BC227058, BR-25047, CJ-14131, SY046029, AB0024539, AX8036996, DB-069545, ST2416584, 4CH-013777, 6-bromanyl-5-methyl-pyridine-3-carbonitrile, FT-0647766, W5832, MFCD03095063 (97%), S-6189, A823674, I02-2369, I02-2857, J-508355, C7H5BrN2,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.964g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.035g/mol
Monoisotopic Mass	195.964g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number