AG00H98J

100491-29-0 | 1,8-Naphthyridine-3-carboxylic acid,7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester

AG00H98J

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CAS Number	100491-29-0
Catalog Number	AG00H98J(AGN-PC-0OPQK3)
Chemical Name	1,8-Naphthyridine-3-carboxylic acid,7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester
IUPAC Name	ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
InChI	InChI=1S/C17H10ClF3N2O3/c1-2-26-17(25)10-7-23(13-4-3-8(19)5-11(13)20)16-9(14(10)24)6-12(21)15(18)22-16/h3-7H,2H2,1H3
InChI Key	JLSXYCZRMYCIMY-UHFFFAOYSA-N
MDL Number	MFCD01863285
Molecular Formula	C17H10ClF3N2O3
Molecular Weight	382.7211
SMILES	O=C(C1=CN(C2=CC=C(F)C=C2F)C3=C(C=C(F)C(Cl)=N3)C1=O)OCC
Synonyms	100491-29-0, ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate, 7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester, AK162118, ST067113, 7-Chloro-1-(2,4-difluoro-phenyl)-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester, Ethyl 1-(2,4-difluorophenyl)-7-Cl-6-F-4-O-hydropyridino[2,3-B]pyridine-3-carboxylate, ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate, 7-Chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester, Ethyl 1-(2,4-Difluorophenyl)-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate, ethyl 1-(2,4-difluorophenyl)-7-chloro-6-fluoro-4-oxohydropyridino[2,3-b]pyridi ne-3-carboxylate, ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE, JLSXYCZRMYCIMY-UHFFFAOYSA-N, AC1LOR4G, Oprea1_565735, SCHEMBL3236130, DTXSID30361479, BCP21058, KS-00000G5H, ZINC1081476, MFCD01863285, SBB012601, AKOS024283394, MCULE-2135356715, Ethyl 1-(2,4-difluorophenyl)-7-chloro-6-fluoro-4-oxopyridino[2,3-b]pyridine-3-carboxylate, AN-34433, AS-16045, EN000537, ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate, PC408427, S024, SC-51097, AX8127809, DB-058439, E1180, FT-0664699, ST24047150, 491C290, I06-2700, Ethyl 1-(2,4-difluorophenyl)-7-Cl-6-F-4-O-hydropyr, 1,8-Naphthyridine-3-carboxylic acid,7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester, 1-(2,4-Difluorophenyl)-4-oxo-6-fluoro-7-chloro-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid ethyl ester, 7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester, ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-chloro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate, ETHYL 7-CHLORO-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-4-OXO-1,4-DIHYDRO[1,8]NAPHTHYRIDINE-3-CARBOXYLATE, ethyl 7-chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate, C17H10ClF3N2O3, ZINC01081476, CID1268243, EC 422-360-1, Tert-butyl 2-cyano-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate,

Complexity	606
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	382.033g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	382.723g/mol
Monoisotopic Mass	382.033g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	59.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H317
Packing Group	Ⅲ
Precautionary statements	P261-P280
UN Code	UN 3077

Certificate of Analysis

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