benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate

C97H89Cl9F5N7O14 — CID 161245516

About benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate

benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate (PubChem CID 161245516) has the molecular formula C97H89Cl9F5N7O14 and a molecular weight of 1990.88 g/mol. Its IUPAC name is benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate.

Molecular Properties

• Compound Name: benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate
• PubChem CID: 161245516
• Molecular Formula: C97H89Cl9F5N7O14
• Molecular Weight: 1990.88 g/mol
• Exact Mass: 1985.36
• IUPAC Name: benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate
• SMILES: C=C(C)c1cc(C(C)(COC)NC(=O)OCc2ccccc2)cc(-c2ccc(F)c(Cl)c2)n1.COC(=O)C(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COCC(C)(C(=O)O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COCC(C)(C(=O)OC)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COCC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
• InChI: InChI=1S/C26H26ClFN2O3.C23H21Cl2FN2O3.C17H16Cl2FNO3.C16H14Cl2FNO3.C15H12Cl2FNO2/c1-17(2)23-13-20(14-24(29-23)19-10-11-22(28)21(27)12-19)26(3,16-32-4)30-25(31)33-15-18-8-6-5-7-9-18;1-23(14-30-2,28-22(29)31-13-15-6-4-3-5-7-15)17-11-20(27-21(25)12-17)16-8-9-19(26)18(24)10-16;1-17(9-23-2,16(22)24-3)11-7-14(21-15(19)8-11)10-4-5-13(20)12(18)6-10;1-16(8-23-2,15(21)22)10-6-13(20-14(18)7-10)9-3-4-12(19)11(17)5-9;1-8(15(20)21-2)10-6-13(19-14(17)7-10)9-3-4-12(18)11(16)5-9/h5-14H,1,15-16H2,2-4H3,(H,30,31);3-12H,13-14H2,1-2H3,(H,28,29);4-8H,9H2,1-3H3;3-7H,8H2,1-2H3,(H,21,22);3-8H,1-2H3
• InChIKey: VAOVTMUWEUOZLQ-UHFFFAOYSA-N
• XLogP: 25.27
• TPSA: 267.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1990.88
LogP ≤ 5	25.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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 benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate?

The IUPAC name of benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate (CID 161245516) is benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate.

What is the SMILES notation for benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate?

The canonical SMILES for benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate is C=C(C)c1cc(C(C)(COC)NC(=O)OCc2ccccc2)cc(-c2ccc(F)c(Cl)c2)n1.COC(=O)C(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COCC(C)(C(=O)O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COCC(C)(C(=O)OC)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COCC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.

What is the InChIKey of benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate?

The InChIKey is VAOVTMUWEUOZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN2O3.C23H21Cl2FN2O3.C17H16Cl2FNO3.C16H14Cl2FNO3.C15H12Cl2FNO2/c1-17(2)23-13-20(14-24(29-23)19-10-11-22(28)21(27)12-19)26(3,16-32-4)30-25(31)33-15-18-8-6-5-7-9-18;1-23(14-30-2,28-22(29)31-13-15-6-4-3-5-7-15)17-11-20(27-21(25)12-17)16-8-9-19(26)18(24)10-16;1-17(9-23-2,16(22)24-3)11-7-14(21-15(19)8-11)10-4-5-13(20)12(18)6-10;1-16(8-23-2,15(21)22)10-6-13(20-14(18)7-10)9-3-4-12(19)11(17)5-9;1-8(15(20)21-2)10-6-13(19-14(17)7-10)9-3-4-12(18)11(16)5-9/h5-14H,1,15-16H2,2-4H3,(H,30,31);3-12H,13-14H2,1-2H3,(H,28,29);4-8H,9H2,1-3H3;3-7H,8H2,1-2H3,(H,21,22);3-8H,1-2H3.

What are the key properties of benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate?

benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate has a molecular weight of 1990.88 g/mol, XLogP of 25.27, 28 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-1-methoxypropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methoxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate is sourced from PubChem (CID 161245516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).