2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C82H74BBr4I2N11O18 — CID 159677828

IUPAC2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
SMILESC#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.CC1(C)OB(c2cccc(O)c2)OC1(C)C.COc1ccc(-c2cccc(O)c2)nc1Br.COc1ccc(I)nc1Br.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(-c4cccc(O)c4)ccc3OC)NC(=O)NC1=O)C2.Oc1ccc(I)nc1Br.Oc1cccnc1Br
InChIInChI=1S/C27H22N4O6.C15H13N3O4.C12H17BO3.C12H10BrNO2.C6H5BrINO.C5H3BrINO.C5H4BrNO/c1-36-19-7-6-17-14-31(24(33)20(17)13-19)15-27(25(34)29-26(35)30-27)11-10-22-23(37-2)9-8-21(28-22)16-4-3-5-18(32)12-16;1-3-15(13(20)16-14(21)17-15)8-18-7-9-4-5-10(22-2)6-11(9)12(18)19;1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9;1-16-11-6-5-10(14-12(11)13)8-3-2-4-9(15)7-8;1-10-4-2-3-5(8)9-6(4)7;6-5-3(9)1-2-4(7)8-5;6-5-4(8)2-1-3-7-5/h3-9,12-13,32H,14-15H2,1-2H3,(H2,29,30,34,35);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);5-8,14H,1-4H3;2-7,15H,1H3;2-3H,1H3;1-2,9H;1-3,8H/t27-;15-;;;;;/m11...../s1
InChIKeyMUVIIAITZBPOAU-GUJNBFEYSA-N
MW2085.79 g/mol
LogP13.00
Rot. Bonds12

About 2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (PubChem CID 159677828) has the molecular formula C82H74BBr4I2N11O18 and a molecular weight of 2085.79 g/mol. Its IUPAC name is 2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.

Molecular Properties

Compound Name2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
PubChem CID159677828
Molecular FormulaC82H74BBr4I2N11O18
Molecular Weight2085.79 g/mol
Exact Mass2081.01
IUPAC Name2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
SMILESC#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.CC1(C)OB(c2cccc(O)c2)OC1(C)C.COc1ccc(-c2cccc(O)c2)nc1Br.COc1ccc(I)nc1Br.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(-c4cccc(O)c4)ccc3OC)NC(=O)NC1=O)C2.Oc1ccc(I)nc1Br.Oc1cccnc1Br
InChIInChI=1S/C27H22N4O6.C15H13N3O4.C12H17BO3.C12H10BrNO2.C6H5BrINO.C5H3BrINO.C5H4BrNO/c1-36-19-7-6-17-14-31(24(33)20(17)13-19)15-27(25(34)29-26(35)30-27)11-10-22-23(37-2)9-8-21(28-22)16-4-3-5-18(32)12-16;1-3-15(13(20)16-14(21)17-15)8-18-7-9-4-5-10(22-2)6-11(9)12(18)19;1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9;1-16-11-6-5-10(14-12(11)13)8-3-2-4-9(15)7-8;1-10-4-2-3-5(8)9-6(4)7;6-5-3(9)1-2-4(7)8-5;6-5-4(8)2-1-3-7-5/h3-9,12-13,32H,14-15H2,1-2H3,(H2,29,30,34,35);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);5-8,14H,1-4H3;2-7,15H,1H3;2-3H,1H3;1-2,9H;1-3,8H/t27-;15-;;;;;/m11...../s1
InChIKeyMUVIIAITZBPOAU-GUJNBFEYSA-N
XLogP13.00
TPSA387.23 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002085.79
LogP ≤ 513.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The IUPAC name of 2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CID 159677828) is 2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.
What is the SMILES notation for 2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The canonical SMILES for 2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.CC1(C)OB(c2cccc(O)c2)OC1(C)C.COc1ccc(-c2cccc(O)c2)nc1Br.COc1ccc(I)nc1Br.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(-c4cccc(O)c4)ccc3OC)NC(=O)NC1=O)C2.Oc1ccc(I)nc1Br.Oc1cccnc1Br.
What is the InChIKey of 2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The InChIKey is MUVIIAITZBPOAU-GUJNBFEYSA-N. The full InChI is InChI=1S/C27H22N4O6.C15H13N3O4.C12H17BO3.C12H10BrNO2.C6H5BrINO.C5H3BrINO.C5H4BrNO/c1-36-19-7-6-17-14-31(24(33)20(17)13-19)15-27(25(34)29-26(35)30-27)11-10-22-23(37-2)9-8-21(28-22)16-4-3-5-18(32)12-16;1-3-15(13(20)16-14(21)17-15)8-18-7-9-4-5-10(22-2)6-11(9)12(18)19;1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9;1-16-11-6-5-10(14-12(11)13)8-3-2-4-9(15)7-8;1-10-4-2-3-5(8)9-6(4)7;6-5-3(9)1-2-4(7)8-5;6-5-4(8)2-1-3-7-5/h3-9,12-13,32H,14-15H2,1-2H3,(H2,29,30,34,35);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);5-8,14H,1-4H3;2-7,15H,1H3;2-3H,1H3;1-2,9H;1-3,8H/t27-;15-;;;;;/m11...../s1.
What are the key properties of 2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol has a molecular weight of 2085.79 g/mol, XLogP of 13.00, 12 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-iodo-3-methoxypyridine;2-bromo-6-iodopyridin-3-ol;3-(6-bromo-5-methoxy-2-pyridinyl)phenol;2-bromopyridin-3-ol;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is sourced from PubChem (CID 159677828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).