azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride

C98H111Cl4F15IN29O19Zn — CID 158563787

About azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride

azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride (PubChem CID 158563787) has the molecular formula C98H111Cl4F15IN29O19Zn and a molecular weight of 2618.23 g/mol. Its IUPAC name is azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride.

Molecular Properties

• Compound Name: azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride
• PubChem CID: 158563787
• Molecular Formula: C98H111Cl4F15IN29O19Zn
• Molecular Weight: 2618.23 g/mol
• Exact Mass: 2613.55
• IUPAC Name: azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride
• SMILES: CC(C)(C)OC(=O)Cc1cc(OC(F)F)ccn1.CNC(=O)c1cn(CC(F)CCc2ccc(I)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC(F)F)ccn3)nn2)nn1.COC(=O)Cc1cc(OC(F)F)ccn1.Cl.Cl[Zn+].FC(F)Oc1ccnc(Cl)c1.N.NC(=O)Cc1cc(OC(F)F)ccn1.O=c1cc[nH]c(Cl)c1.[CH2-]C(=O)OC(C)(C)C
• InChI: InChI=1S/2C20H21F3N8O3.C12H15F2NO3.C12H14FIN6O.C9H9F2NO3.C8H8F2N2O2.C6H4ClF2NO.C6H11O2.C5H4ClNO.2ClH.H3N.Zn/c2*1-24-19(33)16-11-31(30-28-16)10-12(21)2-3-13-4-5-17(29-27-13)26-18(32)9-14-8-15(6-7-25-14)34-20(22)23;1-12(2,3)18-10(16)7-8-6-9(4-5-15-8)17-11(13)14;1-15-12(21)10-7-20(19-17-10)6-8(13)2-3-9-4-5-11(14)18-16-9;1-14-8(13)5-6-4-7(2-3-12-6)15-9(10)11;9-8(10)14-6-1-2-12-5(3-6)4-7(11)13;7-5-3-4(1-2-10-5)11-6(8)9;1-5(7)8-6(2,3)4;6-5-3-4(8)1-2-7-5;;;;/h2*4-8,11-12,20H,2-3,9-10H2,1H3,(H,24,33)(H,26,29,32);4-6,11H,7H2,1-3H3;4-5,7-8H,2-3,6H2,1H3,(H,15,21);2-4,9H,5H2,1H3;1-3,8H,4H2,(H2,11,13);1-3,6H;1H2,2-4H3;1-3H,(H,7,8);2*1H;1H3;/q;;;;;;;-1;;;;;+2/p-1
• InChIKey: HIITZLKXSPEQEH-UHFFFAOYSA-M
• XLogP: 14.63
• TPSA: 637.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 42
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2618.23
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride?

The IUPAC name of azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride (CID 158563787) is azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride.

What is the SMILES notation for azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride?

The canonical SMILES for azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride is CC(C)(C)OC(=O)Cc1cc(OC(F)F)ccn1.CNC(=O)c1cn(CC(F)CCc2ccc(I)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC(F)F)ccn3)nn2)nn1.COC(=O)Cc1cc(OC(F)F)ccn1.Cl.Cl[Zn+].FC(F)Oc1ccnc(Cl)c1.N.NC(=O)Cc1cc(OC(F)F)ccn1.O=c1cc[nH]c(Cl)c1.[CH2-]C(=O)OC(C)(C)C.

What is the InChIKey of azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride?

The InChIKey is HIITZLKXSPEQEH-UHFFFAOYSA-M. The full InChI is InChI=1S/2C20H21F3N8O3.C12H15F2NO3.C12H14FIN6O.C9H9F2NO3.C8H8F2N2O2.C6H4ClF2NO.C6H11O2.C5H4ClNO.2ClH.H3N.Zn/c2*1-24-19(33)16-11-31(30-28-16)10-12(21)2-3-13-4-5-17(29-27-13)26-18(32)9-14-8-15(6-7-25-14)34-20(22)23;1-12(2,3)18-10(16)7-8-6-9(4-5-15-8)17-11(13)14;1-15-12(21)10-7-20(19-17-10)6-8(13)2-3-9-4-5-11(14)18-16-9;1-14-8(13)5-6-4-7(2-3-12-6)15-9(10)11;9-8(10)14-6-1-2-12-5(3-6)4-7(11)13;7-5-3-4(1-2-10-5)11-6(8)9;1-5(7)8-6(2,3)4;6-5-3-4(8)1-2-7-5;;;;/h2*4-8,11-12,20H,2-3,9-10H2,1H3,(H,24,33)(H,26,29,32);4-6,11H,7H2,1-3H3;4-5,7-8H,2-3,6H2,1H3,(H,15,21);2-4,9H,5H2,1H3;1-3,8H,4H2,(H2,11,13);1-3,6H;1H2,2-4H3;1-3H,(H,7,8);2*1H;1H3;/q;;;;;;;-1;;;;;+2/p-1.

What are the key properties of azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride?

azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride has a molecular weight of 2618.23 g/mol, XLogP of 14.63, 42 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for azane;tert-butyl acetate;tert-butyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;2-chloro-4-(difluoromethoxy)pyridine;2-chloro-1H-pyridin-4-one;chlorozinc(1+);2-[4-(difluoromethoxy)-2-pyridinyl]acetamide;bis(1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide);1-[2-fluoro-4-(6-iodopyridazin-3-yl)butyl]-N-methyltriazole-4-carboxamide;methyl 2-[4-(difluoromethoxy)-2-pyridinyl]acetate;hydrochloride is sourced from PubChem (CID 158563787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).