2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide

C82H102Br3N15O13Si2 — CID 159356557

About 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide

2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (PubChem CID 159356557) has the molecular formula C82H102Br3N15O13Si2 and a molecular weight of 1801.69 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
• PubChem CID: 159356557
• Molecular Formula: C82H102Br3N15O13Si2
• Molecular Weight: 1801.69 g/mol
• Exact Mass: 1797.49
• IUPAC Name: 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
• SMILES: CCOCC[Si](C)(C)C.CN(C)C(=O)C(O)c1cncc(Br)c1.CN(C)C(=O)Cc1cncc(Br)c1.COc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12.O=C(O)Cc1cncc(Br)c1
• InChI: InChI=1S/C28H35N5O4Si.C22H21N5O3.C9H11BrN2O2.C9H11BrN2O.C7H6BrNO2.C7H18OSi/c1-32(2)28(35)26(34)21-13-19(15-29-16-21)20-14-23-25(22-9-7-8-10-24(22)36-3)31-33(27(23)30-17-20)18-37-11-12-38(4,5)6;1-27(2)22(29)20(28)15-8-13(10-23-11-15)14-9-17-19(25-26-21(17)24-12-14)16-6-4-5-7-18(16)30-3;1-12(2)9(14)8(13)6-3-7(10)5-11-4-6;1-12(2)9(13)4-7-3-8(10)6-11-5-7;8-6-1-5(2-7(10)11)3-9-4-6;1-5-8-6-7-9(2,3)4/h7-10,13-17,26,34H,11-12,18H2,1-6H3;4-12,20,28H,1-3H3,(H,24,25,26);3-5,8,13H,1-2H3;3,5-6H,4H2,1-2H3;1,3-4H,2H2,(H,10,11);5-7H2,1-4H3
• InChIKey: LHZLZBOVLUQUPH-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 352.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.69
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

The IUPAC name of 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (CID 159356557) is 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

The canonical SMILES for 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide is CCOCC[Si](C)(C)C.CN(C)C(=O)C(O)c1cncc(Br)c1.CN(C)C(=O)Cc1cncc(Br)c1.COc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12.O=C(O)Cc1cncc(Br)c1.

What is the InChIKey of 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

The InChIKey is LHZLZBOVLUQUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O4Si.C22H21N5O3.C9H11BrN2O2.C9H11BrN2O.C7H6BrNO2.C7H18OSi/c1-32(2)28(35)26(34)21-13-19(15-29-16-21)20-14-23-25(22-9-7-8-10-24(22)36-3)31-33(27(23)30-17-20)18-37-11-12-38(4,5)6;1-27(2)22(29)20(28)15-8-13(10-23-11-15)14-9-17-19(25-26-21(17)24-12-14)16-6-4-5-7-18(16)30-3;1-12(2)9(14)8(13)6-3-7(10)5-11-4-6;1-12(2)9(13)4-7-3-8(10)6-11-5-7;8-6-1-5(2-7(10)11)3-9-4-6;1-5-8-6-7-9(2,3)4/h7-10,13-17,26,34H,11-12,18H2,1-6H3;4-12,20,28H,1-3H3,(H,24,25,26);3-5,8,13H,1-2H3;3,5-6H,4H2,1-2H3;1,3-4H,2H2,(H,10,11);5-7H2,1-4H3.

What are the key properties of 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide has a molecular weight of 1801.69 g/mol, XLogP of 13.69, 25 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 159356557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).