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-(2,6-dichloro-4-pyridinyl)acetate

C71H52BrCl12F4N9O10 — CID 160734500

IUPAC2,6-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-(2,6-dichloro-4-pyridinyl)acetate
SMILESCOC(=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
InChIInChI=1S/C15H12Cl2FNO2.C14H9BrCl2FNO2.C14H9Cl2FN4O2.C14H10Cl2FNO2.C8H7Cl2NO2.C6H5Cl2N/c1-8(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/h3-8H,1-2H3;2-6,13H,1H3;2-6,13H,1H3;2-5,7H,6H2,1H3;2-3H,4H2,1H3;2-3H,1H3
InChIKeyRUTSYSWYTBRVMK-UHFFFAOYSA-N
MW1772.58 g/mol
LogP22.70
Rot. Bonds15

About 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-(2,6-dichloro-4-pyridinyl)acetate

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-(2,6-dichloro-4-pyridinyl)acetate (PubChem CID 160734500) has the molecular formula C71H52BrCl12F4N9O10 and a molecular weight of 1772.58 g/mol. Its IUPAC name is 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-(2,6-dichloro-4-pyridinyl)acetate.

Molecular Properties

Compound Name2,6-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-(2,6-dichloro-4-pyridinyl)acetate
PubChem CID160734500
Molecular FormulaC71H52BrCl12F4N9O10
Molecular Weight1772.58 g/mol
Exact Mass1764.92
IUPAC Name2,6-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-(2,6-dichloro-4-pyridinyl)acetate
SMILESCOC(=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
InChIInChI=1S/C15H12Cl2FNO2.C14H9BrCl2FNO2.C14H9Cl2FN4O2.C14H10Cl2FNO2.C8H7Cl2NO2.C6H5Cl2N/c1-8(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/h3-8H,1-2H3;2-6,13H,1H3;2-6,13H,1H3;2-5,7H,6H2,1H3;2-3H,4H2,1H3;2-3H,1H3
InChIKeyRUTSYSWYTBRVMK-UHFFFAOYSA-N
XLogP22.70
TPSA257.60 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.58
LogP ≤ 522.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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 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-(2,6-dichloro-4-pyridinyl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(2,6-dichloro-4-pyridinyl)acetate?
The IUPAC name of 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-(2,6-dichloro-4-pyridinyl)acetate (CID 160734500) is 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-(2,6-dichloro-4-pyridinyl)acetate.
What is the SMILES notation for 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-(2,6-dichloro-4-pyridinyl)acetate?
The canonical SMILES for 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-(2,6-dichloro-4-pyridinyl)acetate is 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.
What is the InChIKey of 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-(2,6-dichloro-4-pyridinyl)acetate?
The InChIKey is RUTSYSWYTBRVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2.C14H9BrCl2FNO2.C14H9Cl2FN4O2.C14H10Cl2FNO2.C8H7Cl2NO2.C6H5Cl2N/c1-8(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/h3-8H,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 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-(2,6-dichloro-4-pyridinyl)acetate?
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-(2,6-dichloro-4-pyridinyl)acetate has a molecular weight of 1772.58 g/mol, XLogP of 22.70, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(2,6-dichloro-4-pyridinyl)acetate is sourced from PubChem (CID 160734500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).