sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide

C94H109BrCl2F20IN28NaO15 — CID 159960973

About sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide

sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide (PubChem CID 159960973) has the molecular formula C94H109BrCl2F20IN28NaO15 and a molecular weight of 2552.76 g/mol. Its IUPAC name is sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
• PubChem CID: 159960973
• Molecular Formula: C94H109BrCl2F20IN28NaO15
• Molecular Weight: 2552.76 g/mol
• Exact Mass: 2549.59
• IUPAC Name: sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
• SMILES: CCC.CCOC(=O)CBr.CCOC(=O)Cc1cc(OCC(F)(F)F)ccn1.CNC(=O)c1cn(CC(F)CCc2ccc(I)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OCC(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OCC(F)(F)F)ccn3)nn2)nn1.FC(F)(F)COc1ccnc(Cl)c1.Fc1ccnc(Cl)c1.N.NC(=O)Cc1cc(OCC(F)(F)F)ccn1.[2H]CF.[H-].[Na+]
• InChI: InChI=1S/2C21H22F4N8O3.C12H14FIN6O.C11H12F3NO3.C9H9F3N2O2.C7H5ClF3NO.C5H3ClFN.C4H7BrO2.C3H8.CH3F.H3N.Na.H/c2*1-26-20(35)17-11-33(32-30-17)10-13(22)2-3-14-4-5-18(31-29-14)28-19(34)9-15-8-16(6-7-27-15)36-12-21(23,24)25;1-15-12(21)10-7-20(19-17-10)6-8(13)2-3-9-4-5-11(14)18-16-9;1-2-17-10(16)6-8-5-9(3-4-15-8)18-7-11(12,13)14;10-9(11,12)5-16-7-1-2-14-6(3-7)4-8(13)15;8-6-3-5(1-2-12-6)13-4-7(9,10)11;6-5-3-4(7)1-2-8-5;1-2-7-4(6)3-5;1-3-2;1-2;;;/h2*4-8,11,13H,2-3,9-10,12H2,1H3,(H,26,35)(H,28,31,34);4-5,7-8H,2-3,6H2,1H3,(H,15,21);3-5H,2,6-7H2,1H3;1-3H,4-5H2,(H2,13,15);1-3H,4H2;1-3H;2-3H2,1H3;3H2,1-2H3;1H3;1H3;;/q;;;;;;;;;;;+1;-1/i;;;;;;;;;1D
• InChIKey: FVUYPYWISYCOIJ-ZOKJOEEZSA-N
• XLogP: 12.79
• TPSA: 569.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 41
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2552.76
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide?

The IUPAC name of sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide (CID 159960973) is sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide.

What is the SMILES notation for sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide?

The canonical SMILES for sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide is CCC.CCOC(=O)CBr.CCOC(=O)Cc1cc(OCC(F)(F)F)ccn1.CNC(=O)c1cn(CC(F)CCc2ccc(I)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OCC(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OCC(F)(F)F)ccn3)nn2)nn1.FC(F)(F)COc1ccnc(Cl)c1.Fc1ccnc(Cl)c1.N.NC(=O)Cc1cc(OCC(F)(F)F)ccn1.[2H]CF.[H-].[Na+].

What is the InChIKey of sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide?

The InChIKey is FVUYPYWISYCOIJ-ZOKJOEEZSA-N. The full InChI is InChI=1S/2C21H22F4N8O3.C12H14FIN6O.C11H12F3NO3.C9H9F3N2O2.C7H5ClF3NO.C5H3ClFN.C4H7BrO2.C3H8.CH3F.H3N.Na.H/c2*1-26-20(35)17-11-33(32-30-17)10-13(22)2-3-14-4-5-18(31-29-14)28-19(34)9-15-8-16(6-7-27-15)36-12-21(23,24)25;1-15-12(21)10-7-20(19-17-10)6-8(13)2-3-9-4-5-11(14)18-16-9;1-2-17-10(16)6-8-5-9(3-4-15-8)18-7-11(12,13)14;10-9(11,12)5-16-7-1-2-14-6(3-7)4-8(13)15;8-6-3-5(1-2-12-6)13-4-7(9,10)11;6-5-3-4(7)1-2-8-5;1-2-7-4(6)3-5;1-3-2;1-2;;;/h2*4-8,11,13H,2-3,9-10,12H2,1H3,(H,26,35)(H,28,31,34);4-5,7-8H,2-3,6H2,1H3,(H,15,21);3-5H,2,6-7H2,1H3;1-3H,4-5H2,(H2,13,15);1-3H,4H2;1-3H;2-3H2,1H3;3H2,1-2H3;1H3;1H3;;/q;;;;;;;;;;;+1;-1/i;;;;;;;;;1D;;;.

What are the key properties of sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide?

sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide has a molecular weight of 2552.76 g/mol, XLogP of 12.79, 41 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;azane;2-chloro-4-fluoropyridine;2-chloro-4-(2,2,2-trifluoroethoxy)pyridine;deuterio(fluoro)methane;ethyl 2-bromoacetate;ethyl 2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetate;1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;bis(1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide);hydride;propane;2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide is sourced from PubChem (CID 159960973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).