2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate

C138H131BBr7Cl3F4N37O20P — CID 172963153

About 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate

2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate (PubChem CID 172963153) has the molecular formula C138H131BBr7Cl3F4N37O20P and a molecular weight of 3411.27 g/mol. Its IUPAC name is 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate.

Molecular Properties

• Compound Name: 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate
• PubChem CID: 172963153
• Molecular Formula: C138H131BBr7Cl3F4N37O20P
• Molecular Weight: 3411.27 g/mol
• Exact Mass: 3401.35
• IUPAC Name: 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate
• SMILES: CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.N#Cc1cc(Br)ccc1CBr.N#Cc1cc(Br)ccc1COCCN.N#Cc1cc(Br)ccc1COCCN1C(=O)c2ccccc2C1=O.N#Cc1cc(Br)ccc1COCCn1cnnc1-c1cccc(N)n1.Nc1cccc(-c2nncn2CCOCc2ccc(Br)cc2OC=O)n1.O.O=C1Nc2cccc(n2)-c2nncn2CCOCc2ccc(-c3ccc(C(F)F)nc3)cc21.O=C1Nc2cccc(n2)-c2nncn2CCOCc2ccc(Br)cc21.O=C1c2ccccc2C(=O)N1CCO.O=P(Cl)(Cl)Cl.OB(O)c1ccc(C(F)F)nc1.[H]/N=N/[H].[H][H]
• InChI: InChI=1S/C23H18F2N6O2.C18H13BrN2O3.C17H15BrN6O.C17H16BrN5O3.C17H14BrN5O2.C12H18N6O.C10H11BrN2O.C10H9NO3.C8H5Br2N.C6H6BF2NO2.Cl3OP.H2N2.H2O.H2/c24-21(25)18-7-6-15(11-26-18)14-4-5-16-12-33-9-8-31-13-27-30-22(31)19-2-1-3-20(28-19)29-23(32)17(16)10-14;19-14-6-5-12(13(9-14)10-20)11-24-8-7-21-17(22)15-3-1-2-4-16(15)18(21)23;18-14-5-4-12(13(8-14)9-19)10-25-7-6-24-11-21-23-17(24)15-2-1-3-16(20)22-15;18-13-5-4-12(15(8-13)26-11-24)9-25-7-6-23-10-20-22-17(23)14-2-1-3-16(19)21-14;18-12-5-4-11-9-25-7-6-23-10-19-22-16(23)14-2-1-3-15(20-14)21-17(24)13(11)8-12;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;11-10-2-1-8(7-14-4-3-12)9(5-10)6-13;12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14;9-4-6-1-2-8(10)3-7(6)5-11;8-6(9)5-2-1-4(3-10-5)7(11)12;1-5(2,3)4;1-2;;/h1-7,10-11,13,21H,8-9,12H2,(H,28,29,32);1-6,9H,7-8,11H2;1-5,8,11H,6-7,10H2,(H2,20,22);1-5,8,10-11H,6-7,9H2,(H2,19,21);1-5,8,10H,6-7,9H2,(H,20,21,24);5-9H,1-4H3,(H,16,19);1-2,5H,3-4,7,12H2;1-4,12H,5-6H2;1-3H,4H2;1-3,6,11-12H;;1-2H;1H2;1H/b;;;;;13-8?,14-9+;;;;;;2-1+
• InChIKey: PRPJMUYUUPZQPD-YYCDNTSYSA-N
• XLogP: 23.70
• TPSA: 818.19 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 49
• Rotatable Bonds: 35
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3411.27
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate?

The IUPAC name of 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate (CID 172963153) is 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate.

What is the SMILES notation for 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate?

The canonical SMILES for 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate is CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.N#Cc1cc(Br)ccc1CBr.N#Cc1cc(Br)ccc1COCCN.N#Cc1cc(Br)ccc1COCCN1C(=O)c2ccccc2C1=O.N#Cc1cc(Br)ccc1COCCn1cnnc1-c1cccc(N)n1.Nc1cccc(-c2nncn2CCOCc2ccc(Br)cc2OC=O)n1.O.O=C1Nc2cccc(n2)-c2nncn2CCOCc2ccc(-c3ccc(C(F)F)nc3)cc21.O=C1Nc2cccc(n2)-c2nncn2CCOCc2ccc(Br)cc21.O=C1c2ccccc2C(=O)N1CCO.O=P(Cl)(Cl)Cl.OB(O)c1ccc(C(F)F)nc1.[H]/N=N/[H].[H][H].

What is the InChIKey of 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate?

The InChIKey is PRPJMUYUUPZQPD-YYCDNTSYSA-N. The full InChI is InChI=1S/C23H18F2N6O2.C18H13BrN2O3.C17H15BrN6O.C17H16BrN5O3.C17H14BrN5O2.C12H18N6O.C10H11BrN2O.C10H9NO3.C8H5Br2N.C6H6BF2NO2.Cl3OP.H2N2.H2O.H2/c24-21(25)18-7-6-15(11-26-18)14-4-5-16-12-33-9-8-31-13-27-30-22(31)19-2-1-3-20(28-19)29-23(32)17(16)10-14;19-14-6-5-12(13(9-14)10-20)11-24-8-7-21-17(22)15-3-1-2-4-16(15)18(21)23;18-14-5-4-12(13(8-14)9-19)10-25-7-6-24-11-21-23-17(24)15-2-1-3-16(20)22-15;18-13-5-4-12(15(8-13)26-11-24)9-25-7-6-23-10-20-22-17(23)14-2-1-3-16(19)21-14;18-12-5-4-11-9-25-7-6-23-10-19-22-16(23)14-2-1-3-15(20-14)21-17(24)13(11)8-12;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;11-10-2-1-8(7-14-4-3-12)9(5-10)6-13;12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14;9-4-6-1-2-8(10)3-7(6)5-11;8-6(9)5-2-1-4(3-10-5)7(11)12;1-5(2,3)4;1-2;;/h1-7,10-11,13,21H,8-9,12H2,(H,28,29,32);1-6,9H,7-8,11H2;1-5,8,11H,6-7,10H2,(H2,20,22);1-5,8,10-11H,6-7,9H2,(H2,19,21);1-5,8,10H,6-7,9H2,(H,20,21,24);5-9H,1-4H3,(H,16,19);1-2,5H,3-4,7,12H2;1-4,12H,5-6H2;1-3H,4H2;1-3,6,11-12H;;1-2H;1H2;1H/b;;;;;13-8?,14-9+;;;;;;2-1+;;.

What are the key properties of 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate?

2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate has a molecular weight of 3411.27 g/mol, XLogP of 23.70, 35 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethoxymethyl)-5-bromobenzonitrile;2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromobenzonitrile;[2-[2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethoxymethyl]-5-bromophenyl] formate;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]benzonitrile;14-bromo-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;diazene;[6-(difluoromethyl)-3-pyridinyl]boronic acid;14-[6-(difluoromethyl)-3-pyridinyl]-9-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-(2-hydroxyethyl)isoindole-1,3-dione;molecular hydrogen;phosphoryl trichloride;hydrate is sourced from PubChem (CID 172963153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).