5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate

C72H78BBr3FN11O17 — CID 167698735

IUPAC5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate
SMILESBrc1cnc2ccccn12.CCOC(=O)CO.CCOC(=O)COc1ccc(-c2cnc3ccccn23)cn1.CCOC(=O)COc1ccc(-c2cnc3ccccn23)cn1.CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CCOC(=O)COc1ccc(Br)cn1.Fc1ccc(Br)cn1
InChIInChI=1S/2C16H15N3O3.C15H22BNO5.C9H10BrNO3.C7H5BrN2.C5H3BrFN.C4H8O3/c2*1-2-21-16(20)11-22-15-7-6-12(9-18-15)13-10-17-14-5-3-4-8-19(13)14;1-6-19-13(18)10-20-12-8-7-11(9-17-12)16-21-14(2,3)15(4,5)22-16;1-2-13-9(12)6-14-8-4-3-7(10)5-11-8;8-6-5-9-7-3-1-2-4-10(6)7;6-4-1-2-5(7)8-3-4;1-2-7-4(6)3-5/h2*3-10H,2,11H2,1H3;7-9H,6,10H2,1-5H3;3-5H,2,6H2,1H3;1-5H;1-3H;5H,2-3H2,1H3
InChIKeyYBAZSPNEUCUDAK-UHFFFAOYSA-N
MW1639.00 g/mol
LogP11.41
Rot. Bonds21

About 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate

5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate (PubChem CID 167698735) has the molecular formula C72H78BBr3FN11O17 and a molecular weight of 1639.00 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Name5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate
PubChem CID167698735
Molecular FormulaC72H78BBr3FN11O17
Molecular Weight1639.00 g/mol
Exact Mass1635.32
IUPAC Name5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate
SMILESBrc1cnc2ccccn12.CCOC(=O)CO.CCOC(=O)COc1ccc(-c2cnc3ccccn23)cn1.CCOC(=O)COc1ccc(-c2cnc3ccccn23)cn1.CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CCOC(=O)COc1ccc(Br)cn1.Fc1ccc(Br)cn1
InChIInChI=1S/2C16H15N3O3.C15H22BNO5.C9H10BrNO3.C7H5BrN2.C5H3BrFN.C4H8O3/c2*1-2-21-16(20)11-22-15-7-6-12(9-18-15)13-10-17-14-5-3-4-8-19(13)14;1-6-19-13(18)10-20-12-8-7-11(9-17-12)16-21-14(2,3)15(4,5)22-16;1-2-13-9(12)6-14-8-4-3-7(10)5-11-8;8-6-5-9-7-3-1-2-4-10(6)7;6-4-1-2-5(7)8-3-4;1-2-7-4(6)3-5/h2*3-10H,2,11H2,1H3;7-9H,6,10H2,1-5H3;3-5H,2,6H2,1H3;1-5H;1-3H;5H,2-3H2,1H3
InChIKeyYBAZSPNEUCUDAK-UHFFFAOYSA-N
XLogP11.41
TPSA323.46 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001639.00
LogP ≤ 511.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate with MolForge

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Related Compounds

5-Bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol
CID 158843980
Potassium;5-bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane;2-methylpropan-2-olate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;1,1,1-trifluoro-2-methylpropan-2-ol
CID 160211874
5-Bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-methylpropan-2-ol;3-(trifluoromethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 160905372
Potassium;5-bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane;2-methylpropan-2-olate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;1,1,1-trifluoro-2-methylpropan-2-ol
CID 162144653
ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine
CID 167640821
5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline
CID 167645669
5-Bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline
CID 167672310
3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;methyl 2-hydroxypropanoate;methyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanoate
CID 167677241
3-bromoimidazo[1,2-a]pyrazine;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazine;2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanoic acid;methyl 2-hydroxypropanoate;methyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanoate
CID 167691041
5-Bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 167585058
5-Bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol;2-(4-pyridin-3-yloxypiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 167588141
5-Bromo-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile;1-[5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-3-methylimidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropan-2-ol;6-[(6-methoxy-3-pyridinyl)methyl]-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane
CID 167669983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate?
The IUPAC name of 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate (CID 167698735) is 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate.
What is the SMILES notation for 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate?
The canonical SMILES for 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate is Brc1cnc2ccccn12.CCOC(=O)CO.CCOC(=O)COc1ccc(-c2cnc3ccccn23)cn1.CCOC(=O)COc1ccc(-c2cnc3ccccn23)cn1.CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CCOC(=O)COc1ccc(Br)cn1.Fc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate?
The InChIKey is YBAZSPNEUCUDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15N3O3.C15H22BNO5.C9H10BrNO3.C7H5BrN2.C5H3BrFN.C4H8O3/c2*1-2-21-16(20)11-22-15-7-6-12(9-18-15)13-10-17-14-5-3-4-8-19(13)14;1-6-19-13(18)10-20-12-8-7-11(9-17-12)16-21-14(2,3)15(4,5)22-16;1-2-13-9(12)6-14-8-4-3-7(10)5-11-8;8-6-5-9-7-3-1-2-4-10(6)7;6-4-1-2-5(7)8-3-4;1-2-7-4(6)3-5/h2*3-10H,2,11H2,1H3;7-9H,6,10H2,1-5H3;3-5H,2,6H2,1H3;1-5H;1-3H;5H,2-3H2,1H3.
What are the key properties of 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate?
5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate has a molecular weight of 1639.00 g/mol, XLogP of 11.41, 21 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 167698735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).