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

C141H114F15N9O20 — CID 159945422

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

1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (PubChem CID 159945422) has the molecular formula C141H114F15N9O20 and a molecular weight of 2539.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
• PubChem CID: 159945422
• Molecular Formula: C141H114F15N9O20
• Molecular Weight: 2539.48 g/mol
• Exact Mass: 2537.79
• IUPAC Name: 1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
• SMILES: COc1cccnc1C(=O)CCC(=O)c1ccccc1.COc1cccnc1C(=O)CCC(=O)c1ccccc1F.Cc1cccnc1C(=O)CCC(=O)c1cccc(F)c1.Cc1cccnc1C(=O)CCC(=O)c1ccccc1F.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccccc1.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccccc1F.O=C(CCC(=O)c1ncccc1F)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1F)c1ccccc1.O=C(CCC(=O)c1ncccc1F)c1ccccc1F
• InChI: InChI=1S/C16H11F4NO2.C16H12F3NO2.C16H14FNO3.2C16H14FNO2.C16H15NO3.2C15H11F2NO2.C15H12FNO2/c17-12-6-2-1-4-10(12)13(22)7-8-14(23)15-11(16(18,19)20)5-3-9-21-15;17-16(18,19)12-7-4-10-20-15(12)14(22)9-8-13(21)11-5-2-1-3-6-11;1-21-15-7-4-10-18-16(15)14(20)9-8-13(19)11-5-2-3-6-12(11)17;1-11-4-3-9-18-16(11)15(20)8-7-14(19)12-5-2-6-13(17)10-12;1-11-5-4-10-18-16(11)15(20)9-8-14(19)12-6-2-3-7-13(12)17;1-20-15-8-5-11-17-16(15)14(19)10-9-13(18)12-6-3-2-4-7-12;16-11-4-1-3-10(9-11)13(19)6-7-14(20)15-12(17)5-2-8-18-15;16-11-5-2-1-4-10(11)13(19)7-8-14(20)15-12(17)6-3-9-18-15;16-12-7-4-10-17-15(12)14(19)9-8-13(18)11-5-2-1-3-6-11/h1-6,9H,7-8H2;1-7,10H,8-9H2;2-7,10H,8-9H2,1H3;2-6,9-10H,7-8H2,1H3;2-7,10H,8-9H2,1H3;2-8,11H,9-10H2,1H3;1-5,8-9H,6-7H2;1-6,9H,7-8H2;1-7,10H,8-9H2
• InChIKey: OBKNSLHOBYZVJC-UHFFFAOYSA-N
• XLogP: 30.27
• TPSA: 441.73 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 47
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2539.48
LogP ≤ 5	30.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

The IUPAC name of 1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (CID 159945422) is 1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.

What is the SMILES notation for 1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

The canonical SMILES for 1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is COc1cccnc1C(=O)CCC(=O)c1ccccc1.COc1cccnc1C(=O)CCC(=O)c1ccccc1F.Cc1cccnc1C(=O)CCC(=O)c1cccc(F)c1.Cc1cccnc1C(=O)CCC(=O)c1ccccc1F.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccccc1.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccccc1F.O=C(CCC(=O)c1ncccc1F)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1F)c1ccccc1.O=C(CCC(=O)c1ncccc1F)c1ccccc1F.

What is the InChIKey of 1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

The InChIKey is OBKNSLHOBYZVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO2.C16H12F3NO2.C16H14FNO3.2C16H14FNO2.C16H15NO3.2C15H11F2NO2.C15H12FNO2/c17-12-6-2-1-4-10(12)13(22)7-8-14(23)15-11(16(18,19)20)5-3-9-21-15;17-16(18,19)12-7-4-10-20-15(12)14(22)9-8-13(21)11-5-2-1-3-6-11;1-21-15-7-4-10-18-16(15)14(20)9-8-13(19)11-5-2-3-6-12(11)17;1-11-4-3-9-18-16(11)15(20)8-7-14(19)12-5-2-6-13(17)10-12;1-11-5-4-10-18-16(11)15(20)9-8-14(19)12-6-2-3-7-13(12)17;1-20-15-8-5-11-17-16(15)14(19)10-9-13(18)12-6-3-2-4-7-12;16-11-4-1-3-10(9-11)13(19)6-7-14(20)15-12(17)5-2-8-18-15;16-11-5-2-1-4-10(11)13(19)7-8-14(20)15-12(17)6-3-9-18-15;16-12-7-4-10-17-15(12)14(19)9-8-13(18)11-5-2-1-3-6-11/h1-6,9H,7-8H2;1-7,10H,8-9H2;2-7,10H,8-9H2,1H3;2-6,9-10H,7-8H2,1H3;2-7,10H,8-9H2,1H3;2-8,11H,9-10H2,1H3;1-5,8-9H,6-7H2;1-6,9H,7-8H2;1-7,10H,8-9H2.

What are the key properties of 1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione has a molecular weight of 2539.48 g/mol, XLogP of 30.27, 47 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-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-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is sourced from PubChem (CID 159945422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).