AG000CCS

116387-40-7 | 3-Pyridinecarboxylic acid, 1,2-dihydro-5-iodo-2-oxo-, methyl ester

AG000CCS

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CAS Number	116387-40-7
Catalog Number	AG000CCS(AGN-PC-0KKQ96)
Chemical Name	3-Pyridinecarboxylic acid, 1,2-dihydro-5-iodo-2-oxo-, methyl ester
IUPAC Name	methyl 5-iodo-2-oxo-1H-pyridine-3-carboxylate
InChI	InChI=1S/C7H6INO3/c1-12-7(11)5-2-4(8)3-9-6(5)10/h2-3H,1H3,(H,9,10)
InChI Key	LGUKGFMYVHZDEB-UHFFFAOYSA-N
MDL Number	MFCD06659597
Molecular Formula	C7H6INO3
Molecular Weight	279.0319
SMILES	COC(=O)C1=CC(I)=CNC1=O
Synonyms	116387-40-7, Methyl 5-iodo-2-oxo-1,2-dihydropyridine-3-carboxylate, 2-Hydroxy-5-iodo-nicotinic acid methyl ester, methyl 2-hydroxy-5-iodonicotinate, Methyl 5-Iodo-2-oxo-1,2-dihydro-3-pyridinecarboxylate, methyl 2-hydroxy-5-iodopyridine-3-carboxylate, methyl 5-iodo-2-oxo-1H-pyridine-3-carboxylate, 3-Pyridinecarboxylicacid, 1,2-dihydro-5-iodo-2-oxo-, methyl ester, ACMC-20mmc4, AC1MC9UJ, SCHEMBL215798, CTK4A9770, KS-00000GKL, methyl2-hydroxy-5-iodonicotinate, DTXSID40377460, LGUKGFMYVHZDEB-UHFFFAOYSA-N, BCP26149, ZINC3884431, ANW-74093, MFCD06659597, MFCD08235111, AKOS005071363, AKOS015851498, AB43751, AC-7412, AN-9034, AS-5215, FCH1380179, MCULE-2990165386, RP15424, VP11650, AJ-47094, AK-82570, AM802999, 2-hydroxy-5-iodonicotinic acid methyl ester, AB0002535, AB1000676, AX8138299, DB-010178, CS-0041200, FT-0680702, 5-Iodo-2-hydroxy-nicotinic acid methyl ester, Z-8433, Z-8439, 8Y-0707, J-522491, I14-17651, 5-Iodo-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid methyl ester, METHYL 5-IODO-2-OXO-1 pound not2-DIHYDRO-3-PYRIDINECARBOXYLATE, null, ZINC03884431, CID2764465, N/A,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.939g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	279.033g/mol
Monoisotopic Mass	278.939g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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