[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate

C94H93BCl4F4N4O15 — CID 161251137

About [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate

[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate (PubChem CID 161251137) has the molecular formula C94H93BCl4F4N4O15 and a molecular weight of 1747.41 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
• PubChem CID: 161251137
• Molecular Formula: C94H93BCl4F4N4O15
• Molecular Weight: 1747.41 g/mol
• Exact Mass: 1744.54
• IUPAC Name: [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
• SMILES: CC.COC(=O)OCc1ccc(OC)c(-c2cccc(Cl)c2)c1F.COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.COC(=O)c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1.COc1ccc(Cc2ccc(C(C)(C)O)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(CO)nc2)c(F)c1-c1cccc(Cl)c1
• InChI: InChI=1S/C22H21ClFNO2.C21H17ClFNO3.C20H17ClFNO2.C16H14ClFO4.C13H18BNO4.C2H6/c1-22(2,26)19-10-7-14(13-25-19)11-16-8-9-18(27-3)20(21(16)24)15-5-4-6-17(23)12-15;1-26-18-9-7-15(10-13-6-8-17(24-12-13)21(25)27-2)20(23)19(18)14-4-3-5-16(22)11-14;1-25-18-8-6-15(9-13-5-7-17(12-24)23-11-13)20(22)19(18)14-3-2-4-16(21)10-14;1-20-13-7-6-11(9-22-16(19)21-2)15(18)14(13)10-4-3-5-12(17)8-10;1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5;1-2/h4-10,12-13,26H,11H2,1-3H3;3-9,11-12H,10H2,1-2H3;2-8,10-11,24H,9,12H2,1H3;3-8H,9H2,1-2H3;6-8H,1-5H3;1-2H3
• InChIKey: VBHAUYYSOIFEBT-UHFFFAOYSA-N
• XLogP: 21.56
• TPSA: 235.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1747.41
LogP ≤ 5	21.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate?

The IUPAC name of [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate (CID 161251137) is [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate.

What is the SMILES notation for [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate?

The canonical SMILES for [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate is CC.COC(=O)OCc1ccc(OC)c(-c2cccc(Cl)c2)c1F.COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.COC(=O)c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1.COc1ccc(Cc2ccc(C(C)(C)O)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(CO)nc2)c(F)c1-c1cccc(Cl)c1.

What is the InChIKey of [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate?

The InChIKey is VBHAUYYSOIFEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFNO2.C21H17ClFNO3.C20H17ClFNO2.C16H14ClFO4.C13H18BNO4.C2H6/c1-22(2,26)19-10-7-14(13-25-19)11-16-8-9-18(27-3)20(21(16)24)15-5-4-6-17(23)12-15;1-26-18-9-7-15(10-13-6-8-17(24-12-13)21(25)27-2)20(23)19(18)14-4-3-5-16(22)11-14;1-25-18-8-6-15(9-13-5-7-17(12-24)23-11-13)20(22)19(18)14-3-2-4-16(21)10-14;1-20-13-7-6-11(9-22-16(19)21-2)15(18)14(13)10-4-3-5-12(17)8-10;1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5;1-2/h4-10,12-13,26H,11H2,1-3H3;3-9,11-12H,10H2,1-2H3;2-8,10-11,24H,9,12H2,1H3;3-8H,9H2,1-2H3;6-8H,1-5H3;1-2H3.

What are the key properties of [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate?

[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate has a molecular weight of 1747.41 g/mol, XLogP of 21.56, 21 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 161251137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).