AG00DAOZ

51984-71-5 | Ethyl 2-methyl-5-nitronicotinate

AG00DAOZ

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CAS Number	51984-71-5
Catalog Number	AG00DAOZ(AGN-PC-0JP9C8)
Chemical Name	Ethyl 2-methyl-5-nitronicotinate
IUPAC Name	ethyl 2-methyl-5-nitropyridine-3-carboxylate
InChI	InChI=1S/C9H10N2O4/c1-3-15-9(12)8-4-7(11(13)14)5-10-6(8)2/h4-5H,3H2,1-2H3
InChI Key	PBYXNPIXRRSBFZ-UHFFFAOYSA-N
MDL Number	MFCD00753850
Molecular Formula	C9H10N2O4
Molecular Weight	210.1867
NSC Number	146799
SMILES	C1=C([N+]([O-])=O)C=NC(=C1C(=O)OCC)C
Synonyms	51984-71-5, Ethyl 2-methyl-5-nitronicotinate, Ethyl 2-methyl-5-nitro-3-pyridinecarboxylate, 2-Methyl-5-nitro-nicotinic acid ethyl ester, ethyl 2-methyl-5-nitropyridine-3-carboxylate, PBYXNPIXRRSBFZ-UHFFFAOYSA-N, ethyl 2-methyl-5-nitro-pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 2-methyl-5-nitro-, ethyl ester, NSC146799, AC1L66XM, AC1Q32MZ, AC1Q64GA, Oprea1_284785, Oprea1_597871, KSC595E1B, SCHEMBL2332293, CTK4J5210, DTXSID00301867, ZINC370806, KS-000010LM, Ethyl 2-methyl-5-nitronicotinate #, ANW-49714, MFCD00753850, AKOS000118449, CS-W000714, DS-0281, MCULE-1620321370, NSC-146799, PB17182, RP26555, VP13487, AC-25185, AJ-20260, AK-23895, AN-41094, BAS 00415393, BR-23895, CJ-03063, SC-44492, SY021691, ZB011164, AB0025253, DB-052055, ST2412949, TR-018497, 4CH-006349, AM20070164, C2134, FT-0640039, W6681, EN300-12986, MFCD00753850 (95%), S-5373, 984E715, A829025, J-520770, 2-methyl-5-nitro-3-pyridinecarboxylic acid ethyl ester, 3-Pyridinecarboxylicacid, 2-methyl-5-nitro-, ethyl ester, Pyridine-3-carboxylic acid, 2-methyl-5-nitro-, ethyl ester, C9H10N2O4, AR-1I8520, CID287239, ACN-028101, ETHYL2-METHYL-5-NITRONICOTINATE, 52315-92-1,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.189g/mol
Monoisotopic Mass	210.064g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	85A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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