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

C109H66Cl19F2N19O23 — CID 167696747

IUPAC5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate
SMILESCCOC(=O)NC(=O)C(C#N)=NNc1cc(Cl)c(Oc2cc(Cl)c(=O)n(Cc3ccccc3)c2)c(Cl)c1.N#Cc1nn(-c2cc(Cl)c(Oc3cc(Cl)c(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]c1=O.Nc1cc(Cl)c(Oc2cc(Cl)c(=O)n(Cc3ccccc3)c2)c(Cl)c1.O=[N+]([O-])c1cc(Cl)c(Oc2cnc(F)c(Cl)c2)c(Cl)c1.O=c1[nH]cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1Cl.O=c1c(Cl)cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1Cc1ccccc1.Oc1cnc(F)c(Cl)c1
InChIInChI=1S/C24H18Cl3N5O5.C22H12Cl3N5O4.C18H11Cl3N2O4.C18H13Cl3N2O2.C11H4Cl3FN2O3.C11H5Cl3N2O4.C5H3ClFNO/c1-2-36-24(35)29-22(33)20(11-28)31-30-15-8-17(25)21(18(26)9-15)37-16-10-19(27)23(34)32(13-16)12-14-6-4-3-5-7-14;23-15-6-13(30-22(33)27-20(31)18(9-26)28-30)7-16(24)19(15)34-14-8-17(25)21(32)29(11-14)10-12-4-2-1-3-5-12;19-14-6-12(23(25)26)7-15(20)17(14)27-13-8-16(21)18(24)22(10-13)9-11-4-2-1-3-5-11;19-14-6-12(22)7-15(20)17(14)25-13-8-16(21)18(24)23(10-13)9-11-4-2-1-3-5-11;12-7-1-5(17(18)19)2-8(13)10(7)20-6-3-9(14)11(15)16-4-6;12-7-1-5(16(18)19)2-8(13)10(7)20-6-3-9(14)11(17)15-4-6;6-4-1-3(9)2-8-5(4)7/h3-10,13,30H,2,12H2,1H3,(H,29,33,35);1-8,11H,10H2,(H,27,31,33);1-8,10H,9H2;1-8,10H,9,22H2;1-4H;1-4H,(H,15,17);1-2,9H
InChIKeyXTQOFIRRWTZGPV-UHFFFAOYSA-N
MW2721.44 g/mol
LogP30.25
Rot. Bonds28

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

5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate (PubChem CID 167696747) has the molecular formula C109H66Cl19F2N19O23 and a molecular weight of 2721.44 g/mol. Its IUPAC name is 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate.

Molecular Properties

Compound Name5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate
PubChem CID167696747
Molecular FormulaC109H66Cl19F2N19O23
Molecular Weight2721.44 g/mol
Exact Mass2710.86
IUPAC Name5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate
SMILESCCOC(=O)NC(=O)C(C#N)=NNc1cc(Cl)c(Oc2cc(Cl)c(=O)n(Cc3ccccc3)c2)c(Cl)c1.N#Cc1nn(-c2cc(Cl)c(Oc3cc(Cl)c(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]c1=O.Nc1cc(Cl)c(Oc2cc(Cl)c(=O)n(Cc3ccccc3)c2)c(Cl)c1.O=[N+]([O-])c1cc(Cl)c(Oc2cnc(F)c(Cl)c2)c(Cl)c1.O=c1[nH]cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1Cl.O=c1c(Cl)cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1Cc1ccccc1.Oc1cnc(F)c(Cl)c1
InChIInChI=1S/C24H18Cl3N5O5.C22H12Cl3N5O4.C18H11Cl3N2O4.C18H13Cl3N2O2.C11H4Cl3FN2O3.C11H5Cl3N2O4.C5H3ClFNO/c1-2-36-24(35)29-22(33)20(11-28)31-30-15-8-17(25)21(18(26)9-15)37-16-10-19(27)23(34)32(13-16)12-14-6-4-3-5-7-14;23-15-6-13(30-22(33)27-20(31)18(9-26)28-30)7-16(24)19(15)34-14-8-17(25)21(32)29(11-14)10-12-4-2-1-3-5-12;19-14-6-12(23(25)26)7-15(20)17(14)27-13-8-16(21)18(24)22(10-13)9-11-4-2-1-3-5-11;19-14-6-12(22)7-15(20)17(14)25-13-8-16(21)18(24)23(10-13)9-11-4-2-1-3-5-11;12-7-1-5(17(18)19)2-8(13)10(7)20-6-3-9(14)11(15)16-4-6;12-7-1-5(16(18)19)2-8(13)10(7)20-6-3-9(14)11(17)15-4-6;6-4-1-3(9)2-8-5(4)7/h3-10,13,30H,2,12H2,1H3,(H,29,33,35);1-8,11H,10H2,(H,27,31,33);1-8,10H,9H2;1-8,10H,9,22H2;1-4H;1-4H,(H,15,17);1-2,9H
InChIKeyXTQOFIRRWTZGPV-UHFFFAOYSA-N
XLogP30.25
TPSA572.81 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002721.44
LogP ≤ 530.25
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-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate?
The IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate (CID 167696747) is 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate.
What is the SMILES notation for 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate?
The canonical SMILES for 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate is CCOC(=O)NC(=O)C(C#N)=NNc1cc(Cl)c(Oc2cc(Cl)c(=O)n(Cc3ccccc3)c2)c(Cl)c1.N#Cc1nn(-c2cc(Cl)c(Oc3cc(Cl)c(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]c1=O.Nc1cc(Cl)c(Oc2cc(Cl)c(=O)n(Cc3ccccc3)c2)c(Cl)c1.O=[N+]([O-])c1cc(Cl)c(Oc2cnc(F)c(Cl)c2)c(Cl)c1.O=c1[nH]cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1Cl.O=c1c(Cl)cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1Cc1ccccc1.Oc1cnc(F)c(Cl)c1.
What is the InChIKey of 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate?
The InChIKey is XTQOFIRRWTZGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3N5O5.C22H12Cl3N5O4.C18H11Cl3N2O4.C18H13Cl3N2O2.C11H4Cl3FN2O3.C11H5Cl3N2O4.C5H3ClFNO/c1-2-36-24(35)29-22(33)20(11-28)31-30-15-8-17(25)21(18(26)9-15)37-16-10-19(27)23(34)32(13-16)12-14-6-4-3-5-7-14;23-15-6-13(30-22(33)27-20(31)18(9-26)28-30)7-16(24)19(15)34-14-8-17(25)21(32)29(11-14)10-12-4-2-1-3-5-12;19-14-6-12(23(25)26)7-15(20)17(14)27-13-8-16(21)18(24)22(10-13)9-11-4-2-1-3-5-11;19-14-6-12(22)7-15(20)17(14)25-13-8-16(21)18(24)23(10-13)9-11-4-2-1-3-5-11;12-7-1-5(17(18)19)2-8(13)10(7)20-6-3-9(14)11(15)16-4-6;12-7-1-5(16(18)19)2-8(13)10(7)20-6-3-9(14)11(17)15-4-6;6-4-1-3(9)2-8-5(4)7/h3-10,13,30H,2,12H2,1H3,(H,29,33,35);1-8,11H,10H2,(H,27,31,33);1-8,10H,9H2;1-8,10H,9,22H2;1-4H;1-4H,(H,15,17);1-2,9H.
What are the key properties of 5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate?
5-(4-amino-2,6-dichlorophenoxy)-1-benzyl-3-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate has a molecular weight of 2721.44 g/mol, XLogP of 30.25, 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-chloropyridin-2-one;1-benzyl-3-chloro-5-(2,6-dichloro-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-2-fluoropyridine;3-chloro-5-(2,6-dichloro-4-nitrophenoxy)-1H-pyridin-2-one;5-chloro-6-fluoropyridin-3-ol;ethyl N-[2-[[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate is sourced from PubChem (CID 167696747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).