dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one

C121H136Br6FK2N21O20 — CID 163527008

About dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one

dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one (PubChem CID 163527008) has the molecular formula C121H136Br6FK2N21O20 and a molecular weight of 2781.16 g/mol. Its IUPAC name is dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one.

Molecular Properties

• Compound Name: dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one
• PubChem CID: 163527008
• Molecular Formula: C121H136Br6FK2N21O20
• Molecular Weight: 2781.16 g/mol
• Exact Mass: 2773.46
• IUPAC Name: dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one
• SMILES: Brc1cccc(Br)n1.CC(C)(C)OC(=O)c1ccc(N)c(NC[C@@H]2CCO2)c1.CC(C)(C)OC(=O)c1ccc(NC(=O)CC2=CCN(c3cccc(Br)n3)CC2)c(NC[C@@H]2CCO2)c1.N#CCC(=O)O.N#CCC1=CCN(c2cccc(Br)n2)CC1.O=C(O)CC1=CCN(c2cccc(Br)n2)CC1.O=C1CCN(c2cccc(Br)n2)CC1.O=C1CCNCC1.O=CO[O-].[C-]#[N+]c1ccc(COc2cccc(N3CC=C(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1.[H-].[K+].[K+]
• InChI: InChI=1S/C31H28FN5O4.C27H33BrN4O4.C15H22N2O3.C12H12BrN3.C12H13BrN2O2.C10H11BrN2O.C5H3Br2N.C5H9NO.C3H3NO2.CH2O3.2K.H/c1-33-23-7-5-22(25(32)17-23)19-41-30-4-2-3-28(35-30)36-12-9-20(10-13-36)15-29-34-26-8-6-21(31(38)39)16-27(26)37(29)18-24-11-14-40-24;1-27(2,3)36-26(34)19-7-8-21(22(16-19)29-17-20-11-14-35-20)30-25(33)15-18-9-12-32(13-10-18)24-6-4-5-23(28)31-24;1-15(2,3)20-14(18)10-4-5-12(16)13(8-10)17-9-11-6-7-19-11;13-11-2-1-3-12(15-11)16-8-5-10(4-7-14)6-9-16;13-10-2-1-3-11(14-10)15-6-4-9(5-7-15)8-12(16)17;11-9-2-1-3-10(12-9)13-6-4-8(14)5-7-13;6-4-2-1-3-5(7)8-4;7-5-1-3-6-4-2-5;4-2-1-3(5)6;2-1-4-3;;;/h2-9,16-17,24H,10-15,18-19H2,(H,38,39);4-9,16,20,29H,10-15,17H2,1-3H3,(H,30,33);4-5,8,11,17H,6-7,9,16H2,1-3H3;1-3,5H,4,6,8-9H2;1-4H,5-8H2,(H,16,17);1-3H,4-7H2;1-3H;6H,1-4H2;1H2,(H,5,6);1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1/t24-;20-;11-;;;;;;;;;;/m000........../s1
• InChIKey: LJQJYERXDBYUGN-FFPGSSSZSA-M
• XLogP: 15.61
• TPSA: 539.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2781.16
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one?

The IUPAC name of dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one (CID 163527008) is dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one.

What is the SMILES notation for dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one?

The canonical SMILES for dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one is Brc1cccc(Br)n1.CC(C)(C)OC(=O)c1ccc(N)c(NC[C@@H]2CCO2)c1.CC(C)(C)OC(=O)c1ccc(NC(=O)CC2=CCN(c3cccc(Br)n3)CC2)c(NC[C@@H]2CCO2)c1.N#CCC(=O)O.N#CCC1=CCN(c2cccc(Br)n2)CC1.O=C(O)CC1=CCN(c2cccc(Br)n2)CC1.O=C1CCN(c2cccc(Br)n2)CC1.O=C1CCNCC1.O=CO[O-].[C-]#[N+]c1ccc(COc2cccc(N3CC=C(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1.[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one?

The InChIKey is LJQJYERXDBYUGN-FFPGSSSZSA-M. The full InChI is InChI=1S/C31H28FN5O4.C27H33BrN4O4.C15H22N2O3.C12H12BrN3.C12H13BrN2O2.C10H11BrN2O.C5H3Br2N.C5H9NO.C3H3NO2.CH2O3.2K.H/c1-33-23-7-5-22(25(32)17-23)19-41-30-4-2-3-28(35-30)36-12-9-20(10-13-36)15-29-34-26-8-6-21(31(38)39)16-27(26)37(29)18-24-11-14-40-24;1-27(2,3)36-26(34)19-7-8-21(22(16-19)29-17-20-11-14-35-20)30-25(33)15-18-9-12-32(13-10-18)24-6-4-5-23(28)31-24;1-15(2,3)20-14(18)10-4-5-12(16)13(8-10)17-9-11-6-7-19-11;13-11-2-1-3-12(15-11)16-8-5-10(4-7-14)6-9-16;13-10-2-1-3-11(14-10)15-6-4-9(5-7-15)8-12(16)17;11-9-2-1-3-10(12-9)13-6-4-8(14)5-7-13;6-4-2-1-3-5(7)8-4;7-5-1-3-6-4-2-5;4-2-1-3(5)6;2-1-4-3;;;/h2-9,16-17,24H,10-15,18-19H2,(H,38,39);4-9,16,20,29H,10-15,17H2,1-3H3,(H,30,33);4-5,8,11,17H,6-7,9,16H2,1-3H3;1-3,5H,4,6,8-9H2;1-4H,5-8H2,(H,16,17);1-3H,4-7H2;1-3H;6H,1-4H2;1H2,(H,5,6);1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1/t24-;20-;11-;;;;;;;;;;/m000........../s1.

What are the key properties of dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one?

dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one has a molecular weight of 2781.16 g/mol, XLogP of 15.61, 29 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one is sourced from PubChem (CID 163527008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).