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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate

C97H76BrCl12F6N11O14 — CID 159035256

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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)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)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)Cc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C23H19Cl2FN2O4.C15H11BrCl2FNO2.C15H11Cl2FN4O2.C15H13Cl2FN2O2.C15H12Cl2FNO2.C14H10Cl2FNO2/c1-23(21(29)31-2,28-22(30)32-13-14-6-4-3-5-7-14)16-11-19(27-20(25)12-16)15-8-9-18(26)17(24)10-15;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;1-20-14(19)6-8-4-12(18-13(16)5-8)9-2-3-11(17)10(15)7-9/h3-12H,13H2,1-2H3,(H,28,30);3-7H,1-2H3;3-7H,1-2H3;3-7H,19H2,1-2H3;3-8H,1-2H3;2-5,7H,6H2,1H3
InChIKeyJVJNQCKZRDTNSR-UHFFFAOYSA-N
MW2239.07 g/mol
LogP27.30
Rot. Bonds22

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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate (PubChem CID 159035256) has the molecular formula C97H76BrCl12F6N11O14 and a molecular weight of 2239.07 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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate
PubChem CID159035256
Molecular FormulaC97H76BrCl12F6N11O14
Molecular Weight2239.07 g/mol
Exact Mass2231.09
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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)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)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)Cc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C23H19Cl2FN2O4.C15H11BrCl2FNO2.C15H11Cl2FN4O2.C15H13Cl2FN2O2.C15H12Cl2FNO2.C14H10Cl2FNO2/c1-23(21(29)31-2,28-22(30)32-13-14-6-4-3-5-7-14)16-11-19(27-20(25)12-16)15-8-9-18(26)17(24)10-15;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;1-20-14(19)6-8-4-12(18-13(16)5-8)9-2-3-11(17)10(15)7-9/h3-12H,13H2,1-2H3,(H,28,30);3-7H,1-2H3;3-7H,1-2H3;3-7H,19H2,1-2H3;3-8H,1-2H3;2-5,7H,6H2,1H3
InChIKeyJVJNQCKZRDTNSR-UHFFFAOYSA-N
XLogP27.30
TPSA348.25 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002239.07
LogP ≤ 527.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate with MolForge

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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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate (CID 159035256) 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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)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)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)Cc1cc(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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate?
The InChIKey is JVJNQCKZRDTNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN2O4.C15H11BrCl2FNO2.C15H11Cl2FN4O2.C15H13Cl2FN2O2.C15H12Cl2FNO2.C14H10Cl2FNO2/c1-23(21(29)31-2,28-22(30)32-13-14-6-4-3-5-7-14)16-11-19(27-20(25)12-16)15-8-9-18(26)17(24)10-15;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;1-20-14(19)6-8-4-12(18-13(16)5-8)9-2-3-11(17)10(15)7-9/h3-12H,13H2,1-2H3,(H,28,30);3-7H,1-2H3;3-7H,1-2H3;3-7H,19H2,1-2H3;3-8H,1-2H3;2-5,7H,6H2,1H3.
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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate has a molecular weight of 2239.07 g/mol, XLogP of 27.30, 22 rotatable bonds, 2 hydrogen bond donors, and 22 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-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-(phenylmethoxycarbonylamino)propanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate is sourced from PubChem (CID 159035256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).