5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol

C116H87Cl12F2N19O23 — CID 167544632

IUPAC5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol
SMILESCCOC(=O)NC(=O)C(C#N)=NNc1cc(Cl)c(Oc2cc(C)c(=O)n(Cc3ccccc3)c2)c(Cl)c1.Cc1cc(O)cnc1F.Cc1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)cn(Cc2ccccc2)c1=O.Cc1cc(Oc2c(Cl)cc(N)cc2Cl)cn(Cc2ccccc2)c1=O.Cc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)c[nH]c1=O.Cc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn(Cc2ccccc2)c1=O.Cc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cnc1F
InChIInChI=1S/C25H21Cl2N5O5.C23H15Cl2N5O4.C19H14Cl2N2O4.C19H16Cl2N2O2.C12H7Cl2FN2O3.C12H8Cl2N2O4.C6H6FNO/c1-3-36-25(35)29-23(33)21(12-28)31-30-17-10-19(26)22(20(27)11-17)37-18-9-15(2)24(34)32(14-18)13-16-7-5-4-6-8-16;1-13-7-16(12-29(22(13)32)11-14-5-3-2-4-6-14)34-20-17(24)8-15(9-18(20)25)30-23(33)27-21(31)19(10-26)28-30;1-12-7-15(11-22(19(12)24)10-13-5-3-2-4-6-13)27-18-16(20)8-14(23(25)26)9-17(18)21;1-12-7-15(25-18-16(20)8-14(22)9-17(18)21)11-23(19(12)24)10-13-5-3-2-4-6-13;1-6-2-8(5-16-12(6)15)20-11-9(13)3-7(17(18)19)4-10(11)14;1-6-2-8(5-15-12(6)17)20-11-9(13)3-7(16(18)19)4-10(11)14;1-4-2-5(9)3-8-6(4)7/h4-11,14,30H,3,13H2,1-2H3,(H,29,33,35);2-9,12H,11H2,1H3,(H,27,31,33);2-9,11H,10H2,1H3;2-9,11H,10,22H2,1H3;2-5H,1H3;2-5H,1H3,(H,15,17);2-3,9H,1H3
InChIKeyBPYSUAZSGJTXSB-UHFFFAOYSA-N
MW2578.51 g/mol
LogP27.84
Rot. Bonds28

About 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol

5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol (PubChem CID 167544632) has the molecular formula C116H87Cl12F2N19O23 and a molecular weight of 2578.51 g/mol. Its IUPAC name is 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol
PubChem CID167544632
Molecular FormulaC116H87Cl12F2N19O23
Molecular Weight2578.51 g/mol
Exact Mass2571.25
IUPAC Name5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol
SMILESCCOC(=O)NC(=O)C(C#N)=NNc1cc(Cl)c(Oc2cc(C)c(=O)n(Cc3ccccc3)c2)c(Cl)c1.Cc1cc(O)cnc1F.Cc1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)cn(Cc2ccccc2)c1=O.Cc1cc(Oc2c(Cl)cc(N)cc2Cl)cn(Cc2ccccc2)c1=O.Cc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)c[nH]c1=O.Cc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn(Cc2ccccc2)c1=O.Cc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cnc1F
InChIInChI=1S/C25H21Cl2N5O5.C23H15Cl2N5O4.C19H14Cl2N2O4.C19H16Cl2N2O2.C12H7Cl2FN2O3.C12H8Cl2N2O4.C6H6FNO/c1-3-36-25(35)29-23(33)21(12-28)31-30-17-10-19(26)22(20(27)11-17)37-18-9-15(2)24(34)32(14-18)13-16-7-5-4-6-8-16;1-13-7-16(12-29(22(13)32)11-14-5-3-2-4-6-14)34-20-17(24)8-15(9-18(20)25)30-23(33)27-21(31)19(10-26)28-30;1-12-7-15(11-22(19(12)24)10-13-5-3-2-4-6-13)27-18-16(20)8-14(23(25)26)9-17(18)21;1-12-7-15(25-18-16(20)8-14(22)9-17(18)21)11-23(19(12)24)10-13-5-3-2-4-6-13;1-6-2-8(5-16-12(6)15)20-11-9(13)3-7(17(18)19)4-10(11)14;1-6-2-8(5-15-12(6)17)20-11-9(13)3-7(16(18)19)4-10(11)14;1-4-2-5(9)3-8-6(4)7/h4-11,14,30H,3,13H2,1-2H3,(H,29,33,35);2-9,12H,11H2,1H3,(H,27,31,33);2-9,11H,10H2,1H3;2-9,11H,10,22H2,1H3;2-5H,1H3;2-5H,1H3,(H,15,17);2-3,9H,1H3
InChIKeyBPYSUAZSGJTXSB-UHFFFAOYSA-N
XLogP27.84
TPSA572.81 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002578.51
LogP ≤ 527.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol?
The IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol (CID 167544632) is 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol.
What is the SMILES notation for 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol?
The canonical SMILES for 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol is CCOC(=O)NC(=O)C(C#N)=NNc1cc(Cl)c(Oc2cc(C)c(=O)n(Cc3ccccc3)c2)c(Cl)c1.Cc1cc(O)cnc1F.Cc1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)cn(Cc2ccccc2)c1=O.Cc1cc(Oc2c(Cl)cc(N)cc2Cl)cn(Cc2ccccc2)c1=O.Cc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)c[nH]c1=O.Cc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn(Cc2ccccc2)c1=O.Cc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cnc1F.
What is the InChIKey of 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol?
The InChIKey is BPYSUAZSGJTXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N5O5.C23H15Cl2N5O4.C19H14Cl2N2O4.C19H16Cl2N2O2.C12H7Cl2FN2O3.C12H8Cl2N2O4.C6H6FNO/c1-3-36-25(35)29-23(33)21(12-28)31-30-17-10-19(26)22(20(27)11-17)37-18-9-15(2)24(34)32(14-18)13-16-7-5-4-6-8-16;1-13-7-16(12-29(22(13)32)11-14-5-3-2-4-6-14)34-20-17(24)8-15(9-18(20)25)30-23(33)27-21(31)19(10-26)28-30;1-12-7-15(11-22(19(12)24)10-13-5-3-2-4-6-13)27-18-16(20)8-14(23(25)26)9-17(18)21;1-12-7-15(25-18-16(20)8-14(22)9-17(18)21)11-23(19(12)24)10-13-5-3-2-4-6-13;1-6-2-8(5-16-12(6)15)20-11-9(13)3-7(17(18)19)4-10(11)14;1-6-2-8(5-15-12(6)17)20-11-9(13)3-7(16(18)19)4-10(11)14;1-4-2-5(9)3-8-6(4)7/h4-11,14,30H,3,13H2,1-2H3,(H,29,33,35);2-9,12H,11H2,1H3,(H,27,31,33);2-9,11H,10H2,1H3;2-9,11H,10,22H2,1H3;2-5H,1H3;2-5H,1H3,(H,15,17);2-3,9H,1H3.
What are the key properties of 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol?
5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol has a molecular weight of 2578.51 g/mol, XLogP of 27.84, 28 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-methylpyridin-2-one;1-benzyl-5-(2,6-dichloro-4-nitrophenoxy)-3-methylpyridin-2-one;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dichloro-4-nitrophenoxy)-2-fluoro-3-methylpyridine;5-(2,6-dichloro-4-nitrophenoxy)-3-methyl-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-fluoro-5-methylpyridin-3-ol is sourced from PubChem (CID 167544632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).