1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone

C116H90F11N9O11 — CID 158128430

IUPAC1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(C)cc(-c2ccc(F)cc2F)n1.CC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)n1.CC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2F)n1.CC(=O)c1cccc(-c2ccc(F)cc2)n1.CC(=O)c1cccc(-c2cccc3ccccc23)n1.CC(=O)c1cccc(Oc2ccc(F)cc2)n1.CC(=O)c1nc(-c2ccccc2)cc2ccccc12.COc1ccc(-c2cccc(C(C)=O)n2)c(OC)n1
InChIInChI=1S/2C17H13NO.C14H9F4NO.C14H10F3NO.C14H11F2NO.C14H14N2O3.C13H10FNO2.C13H10FNO/c1-12(19)16-10-5-11-17(18-16)15-9-4-7-13-6-2-3-8-14(13)15;1-12(19)17-15-10-6-5-9-14(15)11-16(18-17)13-7-3-2-4-8-13;1-8(20)12-3-2-4-13(19-12)10-6-5-9(7-11(10)15)14(16,17)18;1-9(19)12-3-2-4-13(18-12)10-5-7-11(8-6-10)14(15,16)17;1-8-5-13(9(2)18)17-14(6-8)11-4-3-10(15)7-12(11)16;1-9(17)11-5-4-6-12(15-11)10-7-8-13(18-2)16-14(10)19-3;1-9(16)12-3-2-4-13(15-12)17-11-7-5-10(14)6-8-11;1-9(16)12-3-2-4-13(15-12)10-5-7-11(14)8-6-10/h2*2-11H,1H3;2-7H,1H3;2-8H,1H3;3-7H,1-2H3;4-8H,1-3H3;2-8H,1H3;2-8H,1H3
InChIKeyFSLUHHJGRGDXHW-UHFFFAOYSA-N
MW1995.03 g/mol
LogP28.50
Rot. Bonds19

About 1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone

1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone (PubChem CID 158128430) has the molecular formula C116H90F11N9O11 and a molecular weight of 1995.03 g/mol. Its IUPAC name is 1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone
PubChem CID158128430
Molecular FormulaC116H90F11N9O11
Molecular Weight1995.03 g/mol
Exact Mass1993.66
IUPAC Name1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(C)cc(-c2ccc(F)cc2F)n1.CC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)n1.CC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2F)n1.CC(=O)c1cccc(-c2ccc(F)cc2)n1.CC(=O)c1cccc(-c2cccc3ccccc23)n1.CC(=O)c1cccc(Oc2ccc(F)cc2)n1.CC(=O)c1nc(-c2ccccc2)cc2ccccc12.COc1ccc(-c2cccc(C(C)=O)n2)c(OC)n1
InChIInChI=1S/2C17H13NO.C14H9F4NO.C14H10F3NO.C14H11F2NO.C14H14N2O3.C13H10FNO2.C13H10FNO/c1-12(19)16-10-5-11-17(18-16)15-9-4-7-13-6-2-3-8-14(13)15;1-12(19)17-15-10-6-5-9-14(15)11-16(18-17)13-7-3-2-4-8-13;1-8(20)12-3-2-4-13(19-12)10-6-5-9(7-11(10)15)14(16,17)18;1-9(19)12-3-2-4-13(18-12)10-5-7-11(8-6-10)14(15,16)17;1-8-5-13(9(2)18)17-14(6-8)11-4-3-10(15)7-12(11)16;1-9(17)11-5-4-6-12(15-11)10-7-8-13(18-2)16-14(10)19-3;1-9(16)12-3-2-4-13(15-12)17-11-7-5-10(14)6-8-11;1-9(16)12-3-2-4-13(15-12)10-5-7-11(14)8-6-10/h2*2-11H,1H3;2-7H,1H3;2-8H,1H3;3-7H,1-2H3;4-8H,1-3H3;2-8H,1H3;2-8H,1H3
InChIKeyFSLUHHJGRGDXHW-UHFFFAOYSA-N
XLogP28.50
TPSA280.26 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001995.03
LogP ≤ 528.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone (CID 158128430) is 1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone is CC(=O)c1cc(C)cc(-c2ccc(F)cc2F)n1.CC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)n1.CC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2F)n1.CC(=O)c1cccc(-c2ccc(F)cc2)n1.CC(=O)c1cccc(-c2cccc3ccccc23)n1.CC(=O)c1cccc(Oc2ccc(F)cc2)n1.CC(=O)c1nc(-c2ccccc2)cc2ccccc12.COc1ccc(-c2cccc(C(C)=O)n2)c(OC)n1.
What is the InChIKey of 1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone?
The InChIKey is FSLUHHJGRGDXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H13NO.C14H9F4NO.C14H10F3NO.C14H11F2NO.C14H14N2O3.C13H10FNO2.C13H10FNO/c1-12(19)16-10-5-11-17(18-16)15-9-4-7-13-6-2-3-8-14(13)15;1-12(19)17-15-10-6-5-9-14(15)11-16(18-17)13-7-3-2-4-8-13;1-8(20)12-3-2-4-13(19-12)10-6-5-9(7-11(10)15)14(16,17)18;1-9(19)12-3-2-4-13(18-12)10-5-7-11(8-6-10)14(15,16)17;1-8-5-13(9(2)18)17-14(6-8)11-4-3-10(15)7-12(11)16;1-9(17)11-5-4-6-12(15-11)10-7-8-13(18-2)16-14(10)19-3;1-9(16)12-3-2-4-13(15-12)17-11-7-5-10(14)6-8-11;1-9(16)12-3-2-4-13(15-12)10-5-7-11(14)8-6-10/h2*2-11H,1H3;2-7H,1H3;2-8H,1H3;3-7H,1-2H3;4-8H,1-3H3;2-8H,1H3;2-8H,1H3.
What are the key properties of 1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone?
1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone has a molecular weight of 1995.03 g/mol, XLogP of 28.50, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-difluorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[6-(2,6-dimethoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanone;1-[6-(4-fluorophenyl)-2-pyridinyl]ethanone;1-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;1-(6-naphthalen-1-yl-2-pyridinyl)ethanone;1-(3-phenylisoquinolin-1-yl)ethanone;1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 158128430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).