1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione

C181H148F27N11O25 — CID 158564797

IUPAC1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
SMILESCOc1cccnc1C(=O)CCC(=O)c1cccc(F)c1.COc1cccnc1C(=O)CCC(=O)c1ccccc1C.COc1cccnc1C(=O)CCC(=O)c1ccccc1C(F)(F)F.Cc1ccccc1C(=O)CCC(=O)c1ncccc1C.Cc1ccccc1C(=O)CCC(=O)c1ncccc1C(F)(F)F.Cc1ccccc1C(=O)CCC(=O)c1ncccc1F.Cc1cccnc1C(=O)CCC(=O)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1ncccc1F)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1F)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H11F6NO2.C17H14F3NO3.2C17H14F3NO2.C17H17NO3.C17H17NO2.2C16H11F4NO2.C16H14FNO3.C16H14FNO2.C15H11F2NO2/c18-16(19,20)11-5-2-1-4-10(11)13(25)7-8-14(26)15-12(17(21,22)23)6-3-9-24-15;1-24-15-7-4-10-21-16(15)14(23)9-8-13(22)11-5-2-3-6-12(11)17(18,19)20;1-11-5-4-10-21-16(11)15(23)9-8-14(22)12-6-2-3-7-13(12)17(18,19)20;1-11-5-2-3-6-12(11)14(22)8-9-15(23)16-13(17(18,19)20)7-4-10-21-16;1-12-6-3-4-7-13(12)14(19)9-10-15(20)17-16(21-2)8-5-11-18-17;1-12-6-3-4-8-14(12)15(19)9-10-16(20)17-13(2)7-5-11-18-17;17-11-4-1-3-10(9-11)13(22)6-7-14(23)15-12(16(18,19)20)5-2-8-21-15;17-12-6-3-9-21-15(12)14(23)8-7-13(22)10-4-1-2-5-11(10)16(18,19)20;1-21-15-6-3-9-18-16(15)14(20)8-7-13(19)11-4-2-5-12(17)10-11;1-11-5-2-3-6-12(11)14(19)8-9-15(20)16-13(17)7-4-10-18-16;16-11-4-1-3-10(9-11)13(19)6-7-14(20)15-12(17)5-2-8-18-15/h1-6,9H,7-8H2;2-7,10H,8-9H2,1H3;2*2-7,10H,8-9H2,1H3;3-8,11H,9-10H2,1-2H3;3-8,11H,9-10H2,1-2H3;1-5,8-9H,6-7H2;1-6,9H,7-8H2;2-6,9-10H,7-8H2,1H3;2-7,10H,8-9H2,1H3;1-5,8-9H,6-7H2
InChIKeyHRIJPKZVVMVFOW-UHFFFAOYSA-N
MW3390.17 g/mol
LogP42.04
Rot. Bonds58

About 1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione

1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (PubChem CID 158564797) has the molecular formula C181H148F27N11O25 and a molecular weight of 3390.17 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
PubChem CID158564797
Molecular FormulaC181H148F27N11O25
Molecular Weight3390.17 g/mol
Exact Mass3388.02
IUPAC Name1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
SMILESCOc1cccnc1C(=O)CCC(=O)c1cccc(F)c1.COc1cccnc1C(=O)CCC(=O)c1ccccc1C.COc1cccnc1C(=O)CCC(=O)c1ccccc1C(F)(F)F.Cc1ccccc1C(=O)CCC(=O)c1ncccc1C.Cc1ccccc1C(=O)CCC(=O)c1ncccc1C(F)(F)F.Cc1ccccc1C(=O)CCC(=O)c1ncccc1F.Cc1cccnc1C(=O)CCC(=O)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1ncccc1F)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1F)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H11F6NO2.C17H14F3NO3.2C17H14F3NO2.C17H17NO3.C17H17NO2.2C16H11F4NO2.C16H14FNO3.C16H14FNO2.C15H11F2NO2/c18-16(19,20)11-5-2-1-4-10(11)13(25)7-8-14(26)15-12(17(21,22)23)6-3-9-24-15;1-24-15-7-4-10-21-16(15)14(23)9-8-13(22)11-5-2-3-6-12(11)17(18,19)20;1-11-5-4-10-21-16(11)15(23)9-8-14(22)12-6-2-3-7-13(12)17(18,19)20;1-11-5-2-3-6-12(11)14(22)8-9-15(23)16-13(17(18,19)20)7-4-10-21-16;1-12-6-3-4-7-13(12)14(19)9-10-15(20)17-16(21-2)8-5-11-18-17;1-12-6-3-4-8-14(12)15(19)9-10-16(20)17-13(2)7-5-11-18-17;17-11-4-1-3-10(9-11)13(22)6-7-14(23)15-12(16(18,19)20)5-2-8-21-15;17-12-6-3-9-21-15(12)14(23)8-7-13(22)10-4-1-2-5-11(10)16(18,19)20;1-21-15-6-3-9-18-16(15)14(20)8-7-13(19)11-4-2-5-12(17)10-11;1-11-5-2-3-6-12(11)14(19)8-9-15(20)16-13(17)7-4-10-18-16;16-11-4-1-3-10(9-11)13(19)6-7-14(20)15-12(17)5-2-8-18-15/h1-6,9H,7-8H2;2-7,10H,8-9H2,1H3;2*2-7,10H,8-9H2,1H3;3-8,11H,9-10H2,1-2H3;3-8,11H,9-10H2,1-2H3;1-5,8-9H,6-7H2;1-6,9H,7-8H2;2-6,9-10H,7-8H2,1H3;2-7,10H,8-9H2,1H3;1-5,8-9H,6-7H2
InChIKeyHRIJPKZVVMVFOW-UHFFFAOYSA-N
XLogP42.04
TPSA545.02 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds58
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003390.17
LogP ≤ 542.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Methoxypyridin-2-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90371075
Ethane;2-ethyl-3-[(5-fluoro-4-methyl-2-pyridinyl)methyl]naphthalene-1,4-dione;2-ethyl-3-[[5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methyl]naphthalene-1,4-dione
CID 155743208
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 157098435
1-[2-[(Dimethylamino)methyl]phenyl]-4-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 157178907
2-[5-(1,1-Difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
CID 157255302
3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide
CID 157433681
1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione
CID 157514372
(Z)-N,N-dimethyl-4-methylimino-1,5-diphenylpent-2-en-2-amine;(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine;(Z)-N,N-dimethyl-4-methylimino-5-phenylpent-2-en-2-amine;(Z)-1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine;(Z)-N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine;methyl 4-(dimethylamino)pyridine-2-carboxylate;methyl 3-fluoropyridine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 4-methoxypyridine-2-carboxylate;methyl 4-methylpyridine-2-carboxylate;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;methyl 3-(trifluoromethyl)pyridine-2-carboxylate;methyl 5-(trifluoromethyl)pyridine-2-carboxylate;(Z)-N,N,5,5-tetramethyl-4-methyliminohex-2-en-2-amine;(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 157701627
2,6-difluoro-N-[4-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide;2,6-difluoro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide;2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide;2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-6-methylbenzamide;2-fluoro-6-methyl-N-[4-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide;2-fluoro-6-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide
CID 157737965
1-(2-Fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-fluorophenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-phenylbutane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-phenylbutane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-phenylbutane-1,4-dione;1-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 157763264
2-(4-Fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)
CID 157887083
1-[2-[(Dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 158051304

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The IUPAC name of 1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (CID 158564797) is 1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The canonical SMILES for 1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is COc1cccnc1C(=O)CCC(=O)c1cccc(F)c1.COc1cccnc1C(=O)CCC(=O)c1ccccc1C.COc1cccnc1C(=O)CCC(=O)c1ccccc1C(F)(F)F.Cc1ccccc1C(=O)CCC(=O)c1ncccc1C.Cc1ccccc1C(=O)CCC(=O)c1ncccc1C(F)(F)F.Cc1ccccc1C(=O)CCC(=O)c1ncccc1F.Cc1cccnc1C(=O)CCC(=O)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1ncccc1F)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1F)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The InChIKey is HRIJPKZVVMVFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6NO2.C17H14F3NO3.2C17H14F3NO2.C17H17NO3.C17H17NO2.2C16H11F4NO2.C16H14FNO3.C16H14FNO2.C15H11F2NO2/c18-16(19,20)11-5-2-1-4-10(11)13(25)7-8-14(26)15-12(17(21,22)23)6-3-9-24-15;1-24-15-7-4-10-21-16(15)14(23)9-8-13(22)11-5-2-3-6-12(11)17(18,19)20;1-11-5-4-10-21-16(11)15(23)9-8-14(22)12-6-2-3-7-13(12)17(18,19)20;1-11-5-2-3-6-12(11)14(22)8-9-15(23)16-13(17(18,19)20)7-4-10-21-16;1-12-6-3-4-7-13(12)14(19)9-10-15(20)17-16(21-2)8-5-11-18-17;1-12-6-3-4-8-14(12)15(19)9-10-16(20)17-13(2)7-5-11-18-17;17-11-4-1-3-10(9-11)13(22)6-7-14(23)15-12(16(18,19)20)5-2-8-21-15;17-12-6-3-9-21-15(12)14(23)8-7-13(22)10-4-1-2-5-11(10)16(18,19)20;1-21-15-6-3-9-18-16(15)14(20)8-7-13(19)11-4-2-5-12(17)10-11;1-11-5-2-3-6-12(11)14(19)8-9-15(20)16-13(17)7-4-10-18-16;16-11-4-1-3-10(9-11)13(19)6-7-14(20)15-12(17)5-2-8-18-15/h1-6,9H,7-8H2;2-7,10H,8-9H2,1H3;2*2-7,10H,8-9H2,1H3;3-8,11H,9-10H2,1-2H3;3-8,11H,9-10H2,1-2H3;1-5,8-9H,6-7H2;1-6,9H,7-8H2;2-6,9-10H,7-8H2,1H3;2-7,10H,8-9H2,1H3;1-5,8-9H,6-7H2.
What are the key properties of 1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione has a molecular weight of 3390.17 g/mol, XLogP of 42.04, 58 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is sourced from PubChem (CID 158564797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).