1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione

C175H159F4N11O23 — CID 161096218

About 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione

1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione (PubChem CID 161096218) has the molecular formula C175H159F4N11O23 and a molecular weight of 2860.24 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
• PubChem CID: 161096218
• Molecular Formula: C175H159F4N11O23
• Molecular Weight: 2860.24 g/mol
• Exact Mass: 2858.15
• IUPAC Name: 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
• SMILES: COc1ccccc1C(=O)CCC(=O)c1ccccn1.Cc1ccc(C(=O)CCC(=O)c2ccccn2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccccn2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccccn2)cc1.Cc1cccc(C(=O)CCC(=O)c2ccccn2)c1.Cc1cccc(C(=O)CCC(=O)c2ccccn2)c1.Cc1cccc(C(=O)CCC(=O)c2ccccn2)c1.Cc1cccc(C(=O)CCC(=O)c2ccccn2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccccn1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccccn1.O=C(CCC(=O)c1ccccc1F)c1ccccn1
• InChI: InChI=1S/C16H12F3NO2.C16H15NO3.8C16H15NO2.C15H12FNO2/c17-16(18,19)12-6-2-1-5-11(12)14(21)8-9-15(22)13-7-3-4-10-20-13;1-20-16-8-3-2-6-12(16)14(18)9-10-15(19)13-7-4-5-11-17-13;4*1-12-5-4-6-13(11-12)15(18)8-9-16(19)14-7-2-3-10-17-14;1-12-6-2-3-7-13(12)15(18)9-10-16(19)14-8-4-5-11-17-14;3*1-12-5-7-13(8-6-12)15(18)9-10-16(19)14-4-2-3-11-17-14;16-12-6-2-1-5-11(12)14(18)8-9-15(19)13-7-3-4-10-17-13/h1-7,10H,8-9H2;2-8,11H,9-10H2,1H3;4*2-7,10-11H,8-9H2,1H3;4*2-8,11H,9-10H2,1H3;1-7,10H,8-9H2
• InChIKey: UHVDNRRSFLIWSU-UHFFFAOYSA-N
• XLogP: 35.84
• TPSA: 526.56 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 56
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2860.24
LogP ≤ 5	35.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

The IUPAC name of 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione (CID 161096218) is 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione.

What is the SMILES notation for 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

The canonical SMILES for 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione is COc1ccccc1C(=O)CCC(=O)c1ccccn1.Cc1ccc(C(=O)CCC(=O)c2ccccn2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccccn2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccccn2)cc1.Cc1cccc(C(=O)CCC(=O)c2ccccn2)c1.Cc1cccc(C(=O)CCC(=O)c2ccccn2)c1.Cc1cccc(C(=O)CCC(=O)c2ccccn2)c1.Cc1cccc(C(=O)CCC(=O)c2ccccn2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccccn1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccccn1.O=C(CCC(=O)c1ccccc1F)c1ccccn1.

What is the InChIKey of 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

The InChIKey is UHVDNRRSFLIWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2.C16H15NO3.8C16H15NO2.C15H12FNO2/c17-16(18,19)12-6-2-1-5-11(12)14(21)8-9-15(22)13-7-3-4-10-20-13;1-20-16-8-3-2-6-12(16)14(18)9-10-15(19)13-7-4-5-11-17-13;4*1-12-5-4-6-13(11-12)15(18)8-9-16(19)14-7-2-3-10-17-14;1-12-6-2-3-7-13(12)15(18)9-10-16(19)14-8-4-5-11-17-14;3*1-12-5-7-13(8-6-12)15(18)9-10-16(19)14-4-2-3-11-17-14;16-12-6-2-1-5-11(12)14(18)8-9-15(19)13-7-3-4-10-17-13/h1-7,10H,8-9H2;2-8,11H,9-10H2,1H3;4*2-7,10-11H,8-9H2,1H3;4*2-8,11H,9-10H2,1H3;1-7,10H,8-9H2.

What are the key properties of 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione has a molecular weight of 2860.24 g/mol, XLogP of 35.84, 56 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methoxyphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tetrakis(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 161096218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).