sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide

C74H75BrF2N7NaO21S2 — CID 157292897

About sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide

sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide (PubChem CID 157292897) has the molecular formula C74H75BrF2N7NaO21S2 and a molecular weight of 1603.47 g/mol. Its IUPAC name is sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide.

Molecular Properties

• Compound Name: sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide
• PubChem CID: 157292897
• Molecular Formula: C74H75BrF2N7NaO21S2
• Molecular Weight: 1603.47 g/mol
• Exact Mass: 1601.35
• IUPAC Name: sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide
• SMILES: CO.COC(=O)c1ccc(O)c(OC)c1.COc1cc(C(=O)CCC(O)c2cccc(-c3csc4c(F)cccc34)n2)ccc1OCC(N)=O.COc1cc(C(=O)O)ccc1OCC(N)=O.N#CCBr.NCC(O)c1cccc(-c2csc3c(F)cccc23)n1.[C-]#[N+]COc1ccc(C(=O)OC)cc1OC.[Na+].[OH-]
• InChI: InChI=1S/C26H23FN2O5S.C15H13FN2OS.C11H11NO4.C10H11NO5.C9H10O4.C2H2BrN.CH4O.Na.H2O/c1-33-24-12-15(8-11-23(24)34-13-25(28)32)21(30)9-10-22(31)20-7-3-6-19(29-20)17-14-35-26-16(17)4-2-5-18(26)27;16-11-4-1-3-9-10(8-20-15(9)11)12-5-2-6-13(18-12)14(19)7-17;1-12-7-16-9-5-4-8(11(13)15-3)6-10(9)14-2;1-15-8-4-6(10(13)14)2-3-7(8)16-5-9(11)12;1-12-8-5-6(9(11)13-2)3-4-7(8)10;3-1-2-4;1-2;;/h2-8,11-12,14,22,31H,9-10,13H2,1H3,(H2,28,32);1-6,8,14,19H,7,17H2;4-6H,7H2,2-3H3;2-4H,5H2,1H3,(H2,11,12)(H,13,14);3-5,10H,1-2H3;1H2;2H,1H3;;1H2/q;;;;;;;+1;/p-1
• InChIKey: BAZWIAWSWVGCEU-UHFFFAOYSA-M
• XLogP: 8.29
• TPSA: 448.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1603.47
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide?

The IUPAC name of sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide (CID 157292897) is sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide.

What is the SMILES notation for sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide?

The canonical SMILES for sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide is CO.COC(=O)c1ccc(O)c(OC)c1.COc1cc(C(=O)CCC(O)c2cccc(-c3csc4c(F)cccc34)n2)ccc1OCC(N)=O.COc1cc(C(=O)O)ccc1OCC(N)=O.N#CCBr.NCC(O)c1cccc(-c2csc3c(F)cccc23)n1.[C-]#[N+]COc1ccc(C(=O)OC)cc1OC.[Na+].[OH-].

What is the InChIKey of sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide?

The InChIKey is BAZWIAWSWVGCEU-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H23FN2O5S.C15H13FN2OS.C11H11NO4.C10H11NO5.C9H10O4.C2H2BrN.CH4O.Na.H2O/c1-33-24-12-15(8-11-23(24)34-13-25(28)32)21(30)9-10-22(31)20-7-3-6-19(29-20)17-14-35-26-16(17)4-2-5-18(26)27;16-11-4-1-3-9-10(8-20-15(9)11)12-5-2-6-13(18-12)14(19)7-17;1-12-7-16-9-5-4-8(11(13)15-3)6-10(9)14-2;1-15-8-4-6(10(13)14)2-3-7(8)16-5-9(11)12;1-12-8-5-6(9(11)13-2)3-4-7(8)10;3-1-2-4;1-2;;/h2-8,11-12,14,22,31H,9-10,13H2,1H3,(H2,28,32);1-6,8,14,19H,7,17H2;4-6H,7H2,2-3H3;2-4H,5H2,1H3,(H2,11,12)(H,13,14);3-5,10H,1-2H3;1H2;2H,1H3;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide?

sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide has a molecular weight of 1603.47 g/mol, XLogP of 8.29, 24 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-bromoacetonitrile;2-[4-[4-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methanol;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate;hydroxide is sourced from PubChem (CID 157292897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).