AG002H49

188677-49-8 | 4-Pyridinecarboxylic acid, 3-iodo-, methyl ester

AG002H49

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CAS Number	188677-49-8
Catalog Number	AG002H49(AGN-PC-0KKOVZ)
Chemical Name	4-Pyridinecarboxylic acid, 3-iodo-, methyl ester
IUPAC Name	methyl 3-iodopyridine-4-carboxylate
InChI	InChI=1S/C7H6INO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3
InChI Key	XZUYSNLMTTZFDY-UHFFFAOYSA-N
MDL Number	MFCD03411715
Molecular Formula	C7H6INO2
Molecular Weight	263.0325
SMILES	COC(=O)C1=C(C=NC=C1)I
Synonyms	188677-49-8, Methyl 3-iodoisonicotinate, 3-Iodopyridine-4-carboxylic acid methyl ester, Methyl 3-iodopyridine-4-carboxylate, 3-IODOISONICOTINIC ACID METHYL ESTER, 3-IODO-ISONICOTINIC ACID METHYL ESTER, 3-iodo-4-pyridinecarboxylic acid methyl ester, 4-Pyridinecarboxylic acid, 3-iodo-, methyl ester, AK-23705, AC1MC6YH, SCHEMBL1025153, CTK4D9873, DTXSID40376271, XZUYSNLMTTZFDY-UHFFFAOYSA-N, ACT05100, KS-000003NW, ZINC2525006, ANW-51407, BBL101062, MFCD03411715, STL554856, AKOS005167182, methyl 3-iodanylpyridine-4-carboxylate, CS-W022833, FCH1328350, PB10250, 3-Iodopyridine-4-carboxylicacidmethylester, ACM188677498, AJ-37365, BR-23705, DS-10511, AB0005572, AX8087531, ST2413365, TR-008737, 4CH-015596, FT-0615888, W4067, 3-iodo-4-pyridinecarboxylic acid, methyl ester, S-5360, 4-Pyridinecarboxylicacid, 3-iodo-, methyl ester, A813256, I14-33367, C7H6INO2, CID2762504, 3-Iodopyridine-4-carboxylic acid metyl ester, 3-Iodo-4-pyridinecarboxylic acid methyl ester, 97+%,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.944g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.034g/mol
Monoisotopic Mass	262.944g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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