AG003H41

65169-63-3 | 3-Methyl-5-nitropicolinonitrile

AG003H41

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CAS Number	65169-63-3
Catalog Number	AG003H41(AGN-PC-0OF3YH)
Chemical Name	3-Methyl-5-nitropicolinonitrile
IUPAC Name	3-methyl-5-nitropyridine-2-carbonitrile
InChI	InChI=1S/C7H5N3O2/c1-5-2-6(10(11)12)4-9-7(5)3-8/h2,4H,1H3
InChI Key	KMSQJNWARXZFII-UHFFFAOYSA-N
MDL Number	MFCD07375120
Molecular Formula	C7H5N3O2
Molecular Weight	163.1335
SMILES	N#CC1=NC=C([N+]([O-])=O)C=C1C
Synonyms	65169-63-3, 3-methyl-5-nitropicolinonitrile, 2-Cyano-3-methyl-5-nitropyridine, 3-methyl-5-nitropyridine-2-carbonitrile, 3-methyl-5-nitro-pyridine-2-carbonitrile, 3-methyl-5-nitro-2-pyridinecarbonitrile, AK-98709, 2-Pyridinecarbonitrile, 3-methyl-5-nitro-, ACMC-1B5TH, SCHEMBL1663737, CTK5C2297, DTXSID60496642, KMSQJNWARXZFII-UHFFFAOYSA-N, BCP17703, KS-00000Q3W, FCH856016, MFCD07375120, ZINC54967261, AKOS006286566, AB41216, AN-2795, CS-W007292, RP22590, RTR-022208, 2-Pyridinecarbonitrile,3-methyl-5-nitro-, AS-19700, CJ-20765, OR345389, AB1010111, AJ-112564, AX8232088, DB-073582, TR-022208, AM20061410, FT-0652745, Y5001, A834990, J-509191, S02-0162, null, C7H5N3O2, N/A,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.136g/mol
Monoisotopic Mass	163.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	82.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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

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