methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate

C77H61BrCl11F5N10O11 — CID 159388715

IUPACmethyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate
SMILESCOC(=O)C(C)(Br)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)(N)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)(N=[N+]=[N-])c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)(NC(=O)CCl)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H14Cl3FN2O3.C15H11BrCl2FNO2.C15H11Cl2FN4O2.C15H13Cl2FN2O2.C15H12Cl2FNO2/c1-17(16(25)26-2,23-15(24)8-18)10-6-13(22-14(20)7-10)9-3-4-12(21)11(19)5-9;1-15(16,14(21)22-2)9-6-12(20-13(18)7-9)8-3-4-11(19)10(17)5-8;1-15(21-22-19,14(23)24-2)9-6-12(20-13(17)7-9)8-3-4-11(18)10(16)5-8;1-15(19,14(21)22-2)9-6-12(20-13(17)7-9)8-3-4-11(18)10(16)5-8;1-8(15(20)21-2)10-6-13(19-14(17)7-10)9-3-4-12(18)11(16)5-9/h3-7H,8H2,1-2H3,(H,23,24);3-7H,1-2H3;3-7H,1-2H3;3-7H,19H2,1-2H3;3-8H,1-2H3
InChIKeyLLVJIIDHWQUVFZ-UHFFFAOYSA-N
MW1867.27 g/mol
LogP21.82
Rot. Bonds18

About methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate

methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate (PubChem CID 159388715) has the molecular formula C77H61BrCl11F5N10O11 and a molecular weight of 1867.27 g/mol. Its IUPAC name is methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate
PubChem CID159388715
Molecular FormulaC77H61BrCl11F5N10O11
Molecular Weight1867.27 g/mol
Exact Mass1860.02
IUPAC Namemethyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate
SMILESCOC(=O)C(C)(Br)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)(N)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)(N=[N+]=[N-])c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)(NC(=O)CCl)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H14Cl3FN2O3.C15H11BrCl2FNO2.C15H11Cl2FN4O2.C15H13Cl2FN2O2.C15H12Cl2FNO2/c1-17(16(25)26-2,23-15(24)8-18)10-6-13(22-14(20)7-10)9-3-4-12(21)11(19)5-9;1-15(16,14(21)22-2)9-6-12(20-13(18)7-9)8-3-4-11(19)10(17)5-8;1-15(21-22-19,14(23)24-2)9-6-12(20-13(17)7-9)8-3-4-11(18)10(16)5-8;1-15(19,14(21)22-2)9-6-12(20-13(17)7-9)8-3-4-11(18)10(16)5-8;1-8(15(20)21-2)10-6-13(19-14(17)7-10)9-3-4-12(18)11(16)5-9/h3-7H,8H2,1-2H3,(H,23,24);3-7H,1-2H3;3-7H,1-2H3;3-7H,19H2,1-2H3;3-8H,1-2H3
InChIKeyLLVJIIDHWQUVFZ-UHFFFAOYSA-N
XLogP21.82
TPSA299.83 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001867.27
LogP ≤ 521.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Analyze methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate?
The IUPAC name of methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate (CID 159388715) is methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate.
What is the SMILES notation for methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate?
The canonical SMILES for methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate is COC(=O)C(C)(Br)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)(N)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)(N=[N+]=[N-])c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)(NC(=O)CCl)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate?
The InChIKey is LLVJIIDHWQUVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3FN2O3.C15H11BrCl2FNO2.C15H11Cl2FN4O2.C15H13Cl2FN2O2.C15H12Cl2FNO2/c1-17(16(25)26-2,23-15(24)8-18)10-6-13(22-14(20)7-10)9-3-4-12(21)11(19)5-9;1-15(16,14(21)22-2)9-6-12(20-13(18)7-9)8-3-4-11(19)10(17)5-8;1-15(21-22-19,14(23)24-2)9-6-12(20-13(17)7-9)8-3-4-11(18)10(16)5-8;1-15(19,14(21)22-2)9-6-12(20-13(17)7-9)8-3-4-11(18)10(16)5-8;1-8(15(20)21-2)10-6-13(19-14(17)7-10)9-3-4-12(18)11(16)5-9/h3-7H,8H2,1-2H3,(H,23,24);3-7H,1-2H3;3-7H,1-2H3;3-7H,19H2,1-2H3;3-8H,1-2H3.
What are the key properties of methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate?
methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate has a molecular weight of 1867.27 g/mol, XLogP of 21.82, 18 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-azido-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-bromo-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[(2-chloroacetyl)amino]-2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate is sourced from PubChem (CID 159388715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).