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

C94H75F11N6O13 — CID 161226241

IUPAC1-(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
SMILESCOc1cccnc1C(=O)CCC(=O)c1ccccc1F.Cc1cccnc1C(=O)CCC(=O)c1cccc(F)c1.Cc1cccnc1C(=O)CCC(=O)c1ccccc1F.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccccc1F.O=C(CCC(=O)c1ncccc1F)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1F)c1ccccc1F
InChIInChI=1S/C16H11F4NO2.C16H14FNO3.2C16H14FNO2.2C15H11F2NO2/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;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;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/h1-6,9H,7-8H2;2-7,10H,8-9H2,1H3;2-6,9-10H,7-8H2,1H3;2-7,10H,8-9H2,1H3;1-5,8-9H,6-7H2;1-6,9H,7-8H2
InChIKeyUYDWOEFVAQQFKI-UHFFFAOYSA-N
MW1705.64 g/mol
LogP20.32
Rot. Bonds31

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-(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 (PubChem CID 161226241) has the molecular formula C94H75F11N6O13 and a molecular weight of 1705.64 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.

Molecular Properties

Compound Name1-(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
PubChem CID161226241
Molecular FormulaC94H75F11N6O13
Molecular Weight1705.64 g/mol
Exact Mass1704.52
IUPAC Name1-(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
SMILESCOc1cccnc1C(=O)CCC(=O)c1ccccc1F.Cc1cccnc1C(=O)CCC(=O)c1cccc(F)c1.Cc1cccnc1C(=O)CCC(=O)c1ccccc1F.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccccc1F.O=C(CCC(=O)c1ncccc1F)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1F)c1ccccc1F
InChIInChI=1S/C16H11F4NO2.C16H14FNO3.2C16H14FNO2.2C15H11F2NO2/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;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;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/h1-6,9H,7-8H2;2-7,10H,8-9H2,1H3;2-6,9-10H,7-8H2,1H3;2-7,10H,8-9H2,1H3;1-5,8-9H,6-7H2;1-6,9H,7-8H2
InChIKeyUYDWOEFVAQQFKI-UHFFFAOYSA-N
XLogP20.32
TPSA291.41 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001705.64
LogP ≤ 520.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 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 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

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?
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 (CID 161226241) 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.
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?
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 is 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)c1ccccc1F.O=C(CCC(=O)c1ncccc1F)c1cccc(F)c1.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?
The InChIKey is UYDWOEFVAQQFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO2.C16H14FNO3.2C16H14FNO2.2C15H11F2NO2/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;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;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/h1-6,9H,7-8H2;2-7,10H,8-9H2,1H3;2-6,9-10H,7-8H2,1H3;2-7,10H,8-9H2,1H3;1-5,8-9H,6-7H2;1-6,9H,7-8H2.
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-(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 has a molecular weight of 1705.64 g/mol, XLogP of 20.32, 31 rotatable bonds, 0 hydrogen bond donors, and 19 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 is sourced from PubChem (CID 161226241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).