tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate

C108H87BrCl14F6N12O17 — CID 161486230

IUPACtert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate
SMILESC=Cc1cc(C(C)C(=O)OC)cc(-c2ccc(F)c(Cl)c2)n1.CC(NC(=O)OC(C)(C)C)c1cc(C=O)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(Br)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(N=[N+]=[N-])c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)Cc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)Cc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(Cl)c1.O=C=O
InChIInChI=1S/C19H20ClFN2O3.C17H15ClFNO2.C15H12Cl2FNO2.C14H9BrCl2FNO2.C14H9Cl2FN4O2.C14H10Cl2FNO2.C8H7Cl2NO2.C6H5Cl2N.CO2/c1-11(22-18(25)26-19(2,3)4)13-7-14(10-24)23-17(9-13)12-5-6-16(21)15(20)8-12;1-4-13-7-12(10(2)17(21)22-3)9-16(20-13)11-5-6-15(19)14(18)8-11;1-8(15(20)21-2)10-6-13(19-14(17)7-10)9-3-4-12(18)11(16)5-9;1-21-14(20)13(15)8-5-11(19-12(17)6-8)7-2-3-10(18)9(16)4-7;1-23-14(22)13(20-21-18)8-5-11(19-12(16)6-8)7-2-3-10(17)9(15)4-7;1-20-14(19)6-8-4-12(18-13(16)5-8)9-2-3-11(17)10(15)7-9;1-13-8(12)4-5-2-6(9)11-7(10)3-5;1-4-2-5(7)9-6(8)3-4;2-1-3/h5-11H,1-4H3,(H,22,25);4-10H,1H2,2-3H3;3-8H,1-2H3;2-6,13H,1H3;2-6,13H,1H3;2-5,7H,6H2,1H3;2-3H,4H2,1H3;2-3H,1H3;
InChIKeyWEZWUORDZZATRD-UHFFFAOYSA-N
MW2515.18 g/mol
LogP31.52
Rot. Bonds23

About tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate

tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate (PubChem CID 161486230) has the molecular formula C108H87BrCl14F6N12O17 and a molecular weight of 2515.18 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate
PubChem CID161486230
Molecular FormulaC108H87BrCl14F6N12O17
Molecular Weight2515.18 g/mol
Exact Mass2506.10
IUPAC Nametert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate
SMILESC=Cc1cc(C(C)C(=O)OC)cc(-c2ccc(F)c(Cl)c2)n1.CC(NC(=O)OC(C)(C)C)c1cc(C=O)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(Br)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(N=[N+]=[N-])c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)Cc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)Cc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(Cl)c1.O=C=O
InChIInChI=1S/C19H20ClFN2O3.C17H15ClFNO2.C15H12Cl2FNO2.C14H9BrCl2FNO2.C14H9Cl2FN4O2.C14H10Cl2FNO2.C8H7Cl2NO2.C6H5Cl2N.CO2/c1-11(22-18(25)26-19(2,3)4)13-7-14(10-24)23-17(9-13)12-5-6-16(21)15(20)8-12;1-4-13-7-12(10(2)17(21)22-3)9-16(20-13)11-5-6-15(19)14(18)8-11;1-8(15(20)21-2)10-6-13(19-14(17)7-10)9-3-4-12(18)11(16)5-9;1-21-14(20)13(15)8-5-11(19-12(17)6-8)7-2-3-10(18)9(16)4-7;1-23-14(22)13(20-21-18)8-5-11(19-12(16)6-8)7-2-3-10(17)9(15)4-7;1-20-14(19)6-8-4-12(18-13(16)5-8)9-2-3-11(17)10(15)7-9;1-13-8(12)4-5-2-6(9)11-7(10)3-5;1-4-2-5(7)9-6(8)3-4;2-1-3/h5-11H,1-4H3,(H,22,25);4-10H,1H2,2-3H3;3-8H,1-2H3;2-6,13H,1H3;2-6,13H,1H3;2-5,7H,6H2,1H3;2-3H,4H2,1H3;2-3H,1H3;
InChIKeyWEZWUORDZZATRD-UHFFFAOYSA-N
XLogP31.52
TPSA399.22 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002515.18
LogP ≤ 531.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate?
The IUPAC name of tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate (CID 161486230) is tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate.
What is the SMILES notation for tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate?
The canonical SMILES for tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate is C=Cc1cc(C(C)C(=O)OC)cc(-c2ccc(F)c(Cl)c2)n1.CC(NC(=O)OC(C)(C)C)c1cc(C=O)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(Br)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(N=[N+]=[N-])c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)Cc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)Cc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(Cl)c1.O=C=O.
What is the InChIKey of tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate?
The InChIKey is WEZWUORDZZATRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3.C17H15ClFNO2.C15H12Cl2FNO2.C14H9BrCl2FNO2.C14H9Cl2FN4O2.C14H10Cl2FNO2.C8H7Cl2NO2.C6H5Cl2N.CO2/c1-11(22-18(25)26-19(2,3)4)13-7-14(10-24)23-17(9-13)12-5-6-16(21)15(20)8-12;1-4-13-7-12(10(2)17(21)22-3)9-16(20-13)11-5-6-15(19)14(18)8-11;1-8(15(20)21-2)10-6-13(19-14(17)7-10)9-3-4-12(18)11(16)5-9;1-21-14(20)13(15)8-5-11(19-12(17)6-8)7-2-3-10(18)9(16)4-7;1-23-14(22)13(20-21-18)8-5-11(19-12(16)6-8)7-2-3-10(17)9(15)4-7;1-20-14(19)6-8-4-12(18-13(16)5-8)9-2-3-11(17)10(15)7-9;1-13-8(12)4-5-2-6(9)11-7(10)3-5;1-4-2-5(7)9-6(8)3-4;2-1-3/h5-11H,1-4H3,(H,22,25);4-10H,1H2,2-3H3;3-8H,1-2H3;2-6,13H,1H3;2-6,13H,1H3;2-5,7H,6H2,1H3;2-3H,4H2,1H3;2-3H,1H3;.
What are the key properties of tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate?
tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate has a molecular weight of 2515.18 g/mol, XLogP of 31.52, 23 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]ethyl]carbamate;carbon dioxide;2,6-dichloro-4-methylpyridine;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate is sourced from PubChem (CID 161486230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).