2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate

C103H88Cl14F5N7O13 — CID 158073766

About 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate

2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate (PubChem CID 158073766) has the molecular formula C103H88Cl14F5N7O13 and a molecular weight of 2223.20 g/mol. Its IUPAC name is 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate.

Molecular Properties

• Compound Name: 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate
• PubChem CID: 158073766
• Molecular Formula: C103H88Cl14F5N7O13
• Molecular Weight: 2223.20 g/mol
• Exact Mass: 2215.20
• IUPAC Name: 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate
• SMILES: CC(CO)(CO)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(CO)(COCc1ccccc1)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)(COCc1ccccc1)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.COC(=O)Cc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(Cl)c1
• InChI: InChI=1S/C23H20Cl2FNO3.C22H20Cl2FNO2.C15H12Cl2FNO2.C15H14Cl2FNO2.C14H10Cl2FNO2.C8H7Cl2NO2.C6H5Cl2N/c1-23(22(28)29-2,14-30-13-15-6-4-3-5-7-15)17-11-20(27-21(25)12-17)16-8-9-19(26)18(24)10-16;1-22(13-27,14-28-12-15-5-3-2-4-6-15)17-10-20(26-21(24)11-17)16-7-8-19(25)18(23)9-16;1-8(15(20)21-2)10-6-13(19-14(17)7-10)9-3-4-12(18)11(16)5-9;1-15(7-20,8-21)10-5-13(19-14(17)6-10)9-2-3-12(18)11(16)4-9;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/h3-12H,13-14H2,1-2H3;2-11,27H,12-14H2,1H3;3-8H,1-2H3;2-6,20-21H,7-8H2,1H3;2-5,7H,6H2,1H3;2-3H,4H2,1H3;2-3H,1H3
• InChIKey: FMCXTXUQUWCARR-UHFFFAOYSA-N
• XLogP: 28.12
• TPSA: 274.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2223.20
LogP ≤ 5	28.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;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-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate (CID 158073766) is 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;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-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;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-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate is CC(CO)(CO)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(CO)(COCc1ccccc1)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)C(C)(COCc1ccccc1)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.COC(=O)Cc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(Cl)c1.

What is the InChIKey of 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate?

The InChIKey is FMCXTXUQUWCARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2FNO3.C22H20Cl2FNO2.C15H12Cl2FNO2.C15H14Cl2FNO2.C14H10Cl2FNO2.C8H7Cl2NO2.C6H5Cl2N/c1-23(22(28)29-2,14-30-13-15-6-4-3-5-7-15)17-11-20(27-21(25)12-17)16-8-9-19(26)18(24)10-16;1-22(13-27,14-28-12-15-5-3-2-4-6-15)17-10-20(26-21(24)11-17)16-7-8-19(25)18(23)9-16;1-8(15(20)21-2)10-6-13(19-14(17)7-10)9-3-4-12(18)11(16)5-9;1-15(7-20,8-21)10-5-13(19-14(17)6-10)9-2-3-12(18)11(16)4-9;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/h3-12H,13-14H2,1-2H3;2-11,27H,12-14H2,1H3;3-8H,1-2H3;2-6,20-21H,7-8H2,1H3;2-5,7H,6H2,1H3;2-3H,4H2,1H3;2-3H,1H3.

What are the key properties of 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate?

2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;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 2223.20 g/mol, XLogP of 28.12, 26 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;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 158073766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).