5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol

C111H79Br12N19O25 — CID 167550001

IUPAC5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol
SMILESCCOC(=O)NC(=O)C(C#N)=NNc1cc(Br)c(Oc2ccc(=O)n(Cc3ccccc3)c2)c(Br)c1.COc1ccc(O)cn1.COc1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)cn1.N#Cc1nn(-c2cc(Br)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Br)c2)c(=O)[nH]c1=O.Nc1cc(Br)c(Oc2ccc(=O)n(Cc3ccccc3)c2)c(Br)c1.O=c1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c[nH]1.O=c1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)cn1Cc1ccccc1
InChIInChI=1S/C24H19Br2N5O5.C22H13Br2N5O4.C18H12Br2N2O4.C18H14Br2N2O2.C12H8Br2N2O4.C11H6Br2N2O4.C6H7NO2/c1-2-35-24(34)28-23(33)20(12-27)30-29-16-10-18(25)22(19(26)11-16)36-17-8-9-21(32)31(14-17)13-15-6-4-3-5-7-15;23-16-8-14(29-22(32)26-21(31)18(10-25)27-29)9-17(24)20(16)33-15-6-7-19(30)28(12-15)11-13-4-2-1-3-5-13;19-15-8-13(22(24)25)9-16(20)18(15)26-14-6-7-17(23)21(11-14)10-12-4-2-1-3-5-12;19-15-8-13(21)9-16(20)18(15)24-14-6-7-17(23)22(11-14)10-12-4-2-1-3-5-12;1-19-11-3-2-8(6-15-11)20-12-9(13)4-7(16(17)18)5-10(12)14;12-8-3-6(15(17)18)4-9(13)11(8)19-7-1-2-10(16)14-5-7;1-9-6-3-2-5(8)4-7-6/h3-11,14,29H,2,13H2,1H3,(H,28,33,34);1-9,12H,11H2,(H,26,31,32);1-9,11H,10H2;1-9,11H,10,21H2;2-6H,1H3;1-5H,(H,14,16);2-4,8H,1H3
InChIKeyCGWCXKLBYHHPAV-UHFFFAOYSA-N
MW3037.81 g/mol
LogP26.73
Rot. Bonds30

About 5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol

5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol (PubChem CID 167550001) has the molecular formula C111H79Br12N19O25 and a molecular weight of 3037.81 g/mol. Its IUPAC name is 5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol.

Molecular Properties

Compound Name5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol
PubChem CID167550001
Molecular FormulaC111H79Br12N19O25
Molecular Weight3037.81 g/mol
Exact Mass3024.57
IUPAC Name5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol
SMILESCCOC(=O)NC(=O)C(C#N)=NNc1cc(Br)c(Oc2ccc(=O)n(Cc3ccccc3)c2)c(Br)c1.COc1ccc(O)cn1.COc1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)cn1.N#Cc1nn(-c2cc(Br)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Br)c2)c(=O)[nH]c1=O.Nc1cc(Br)c(Oc2ccc(=O)n(Cc3ccccc3)c2)c(Br)c1.O=c1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c[nH]1.O=c1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)cn1Cc1ccccc1
InChIInChI=1S/C24H19Br2N5O5.C22H13Br2N5O4.C18H12Br2N2O4.C18H14Br2N2O2.C12H8Br2N2O4.C11H6Br2N2O4.C6H7NO2/c1-2-35-24(34)28-23(33)20(12-27)30-29-16-10-18(25)22(19(26)11-16)36-17-8-9-21(32)31(14-17)13-15-6-4-3-5-7-15;23-16-8-14(29-22(32)26-21(31)18(10-25)27-29)9-17(24)20(16)33-15-6-7-19(30)28(12-15)11-13-4-2-1-3-5-13;19-15-8-13(22(24)25)9-16(20)18(15)26-14-6-7-17(23)21(11-14)10-12-4-2-1-3-5-12;19-15-8-13(21)9-16(20)18(15)24-14-6-7-17(23)22(11-14)10-12-4-2-1-3-5-12;1-19-11-3-2-8(6-15-11)20-12-9(13)4-7(16(17)18)5-10(12)14;12-8-3-6(15(17)18)4-9(13)11(8)19-7-1-2-10(16)14-5-7;1-9-6-3-2-5(8)4-7-6/h3-11,14,29H,2,13H2,1H3,(H,28,33,34);1-9,12H,11H2,(H,26,31,32);1-9,11H,10H2;1-9,11H,10,21H2;2-6H,1H3;1-5H,(H,14,16);2-4,8H,1H3
InChIKeyCGWCXKLBYHHPAV-UHFFFAOYSA-N
XLogP26.73
TPSA591.27 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003037.81
LogP ≤ 526.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol?
The IUPAC name of 5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol (CID 167550001) is 5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol.
What is the SMILES notation for 5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol?
The canonical SMILES for 5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol is CCOC(=O)NC(=O)C(C#N)=NNc1cc(Br)c(Oc2ccc(=O)n(Cc3ccccc3)c2)c(Br)c1.COc1ccc(O)cn1.COc1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)cn1.N#Cc1nn(-c2cc(Br)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Br)c2)c(=O)[nH]c1=O.Nc1cc(Br)c(Oc2ccc(=O)n(Cc3ccccc3)c2)c(Br)c1.O=c1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c[nH]1.O=c1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)cn1Cc1ccccc1.
What is the InChIKey of 5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol?
The InChIKey is CGWCXKLBYHHPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Br2N5O5.C22H13Br2N5O4.C18H12Br2N2O4.C18H14Br2N2O2.C12H8Br2N2O4.C11H6Br2N2O4.C6H7NO2/c1-2-35-24(34)28-23(33)20(12-27)30-29-16-10-18(25)22(19(26)11-16)36-17-8-9-21(32)31(14-17)13-15-6-4-3-5-7-15;23-16-8-14(29-22(32)26-21(31)18(10-25)27-29)9-17(24)20(16)33-15-6-7-19(30)28(12-15)11-13-4-2-1-3-5-13;19-15-8-13(22(24)25)9-16(20)18(15)26-14-6-7-17(23)21(11-14)10-12-4-2-1-3-5-12;19-15-8-13(21)9-16(20)18(15)24-14-6-7-17(23)22(11-14)10-12-4-2-1-3-5-12;1-19-11-3-2-8(6-15-11)20-12-9(13)4-7(16(17)18)5-10(12)14;12-8-3-6(15(17)18)4-9(13)11(8)19-7-1-2-10(16)14-5-7;1-9-6-3-2-5(8)4-7-6/h3-11,14,29H,2,13H2,1H3,(H,28,33,34);1-9,12H,11H2,(H,26,31,32);1-9,11H,10H2;1-9,11H,10,21H2;2-6H,1H3;1-5H,(H,14,16);2-4,8H,1H3.
What are the key properties of 5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol?
5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol has a molecular weight of 3037.81 g/mol, XLogP of 26.73, 30 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,6-dibromophenoxy)-1-benzylpyridin-2-one;1-benzyl-5-(2,6-dibromo-4-nitrophenoxy)pyridin-2-one;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;5-(2,6-dibromo-4-nitrophenoxy)-2-methoxypyridine;5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one;ethyl N-[2-[[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dibromophenyl]hydrazinylidene]-2-cyanoacetyl]carbamate;6-methoxypyridin-3-ol is sourced from PubChem (CID 167550001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).