3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C69H87B2Br3IN8O6W3-3 — CID 159415031

IUPAC3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESBrc1cncc(Br)c1.CB(O)O.CC.CC.CC.CC(C)(C)OC(=O)n1[c-]c(C=CC=[W])c(I)c1.Cc1cncc(-c2c[nH][c-]c2C=CC=[W])c1.Cc1cncc(-c2cn(C)[c-]c2C=CC=[W])c1.Cc1cncc(B2OC(C)(C)C(C)(C)O2)c1.Cc1cncc(Br)c1
InChIInChI=1S/C14H13N2.C13H11N2.C12H18BNO2.C12H13INO2.C6H6BrN.C5H3Br2N.3C2H6.CH5BO2.3W/c1-4-5-12-9-16(3)10-14(12)13-6-11(2)7-15-8-13;1-3-4-11-7-15-9-13(11)12-5-10(2)6-14-8-12;1-9-6-10(8-14-7-9)13-15-11(2,3)12(4,5)16-13;1-5-6-9-7-14(8-10(9)13)11(15)16-12(2,3)4;1-5-2-6(7)4-8-3-5;6-4-1-5(7)3-8-2-4;3*1-2;1-2(3)4;;;/h1,4-8,10H,2-3H3;1,3-6,8-9,15H,2H3;6-8H,1-5H3;1,5-6,8H,2-4H3;2-4H,1H3;1-3H;3*1-2H3;3-4H,1H3;;;/q2*-1;;-1;;;;;;;;;
InChIKeyCUNGIIWFRRIBBR-UHFFFAOYSA-N
MW2064.26 g/mol
LogP16.76
Rot. Bonds9

About 3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 159415031) has the molecular formula C69H87B2Br3IN8O6W3-3 and a molecular weight of 2064.26 g/mol. Its IUPAC name is 3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID159415031
Molecular FormulaC69H87B2Br3IN8O6W3-3
Molecular Weight2064.26 g/mol
Exact Mass2061.21
IUPAC Name3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESBrc1cncc(Br)c1.CB(O)O.CC.CC.CC.CC(C)(C)OC(=O)n1[c-]c(C=CC=[W])c(I)c1.Cc1cncc(-c2c[nH][c-]c2C=CC=[W])c1.Cc1cncc(-c2cn(C)[c-]c2C=CC=[W])c1.Cc1cncc(B2OC(C)(C)C(C)(C)O2)c1.Cc1cncc(Br)c1
InChIInChI=1S/C14H13N2.C13H11N2.C12H18BNO2.C12H13INO2.C6H6BrN.C5H3Br2N.3C2H6.CH5BO2.3W/c1-4-5-12-9-16(3)10-14(12)13-6-11(2)7-15-8-13;1-3-4-11-7-15-9-13(11)12-5-10(2)6-14-8-12;1-9-6-10(8-14-7-9)13-15-11(2,3)12(4,5)16-13;1-5-6-9-7-14(8-10(9)13)11(15)16-12(2,3)4;1-5-2-6(7)4-8-3-5;6-4-1-5(7)3-8-2-4;3*1-2;1-2(3)4;;;/h1,4-8,10H,2-3H3;1,3-6,8-9,15H,2H3;6-8H,1-5H3;1,5-6,8H,2-4H3;2-4H,1H3;1-3H;3*1-2H3;3-4H,1H3;;;/q2*-1;;-1;;;;;;;;;
InChIKeyCUNGIIWFRRIBBR-UHFFFAOYSA-N
XLogP16.76
TPSA175.32 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002064.26
LogP ≤ 516.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine with MolForge

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Related Compounds

4-bromoisoquinoline;tert-butyl 4-isoquinolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-isoquinolin-4-ylpiperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;methanol;4-piperidin-4-ylisoquinoline
CID 158999939
tert-butyl (2S)-2-(5-bromo-3-pyridinyl)piperidine-1-carboxylate;tert-butyl (2S)-2-pyridin-3-ylpiperidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidine-1-carboxylate
CID 159453458
Bis(tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate);tert-butyl 4-iodopiperidine-1-carboxylate;tert-butyl 4-(3-phenyl-2-pyridinyl)piperidine-1-carboxylate;2,3-dibromopyridine;methane;phenylboronic acid;3-phenyl-2-piperidin-4-ylpyridine;hydrochloride
CID 159594882
Bis(tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate);tert-butyl 4-iodopiperidine-1-carboxylate;tert-butyl 4-(3-phenyl-2-pyridinyl)piperidine-1-carboxylate;2,3-dibromopyridine;phenylboronic acid;3-phenyl-2-piperidin-4-ylpyridine;hydrochloride
CID 162060174

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 159415031) is 3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is Brc1cncc(Br)c1.CB(O)O.CC.CC.CC.CC(C)(C)OC(=O)n1[c-]c(C=CC=[W])c(I)c1.Cc1cncc(-c2c[nH][c-]c2C=CC=[W])c1.Cc1cncc(-c2cn(C)[c-]c2C=CC=[W])c1.Cc1cncc(B2OC(C)(C)C(C)(C)O2)c1.Cc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is CUNGIIWFRRIBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2.C13H11N2.C12H18BNO2.C12H13INO2.C6H6BrN.C5H3Br2N.3C2H6.CH5BO2.3W/c1-4-5-12-9-16(3)10-14(12)13-6-11(2)7-15-8-13;1-3-4-11-7-15-9-13(11)12-5-10(2)6-14-8-12;1-9-6-10(8-14-7-9)13-15-11(2,3)12(4,5)16-13;1-5-6-9-7-14(8-10(9)13)11(15)16-12(2,3)4;1-5-2-6(7)4-8-3-5;6-4-1-5(7)3-8-2-4;3*1-2;1-2(3)4;;;/h1,4-8,10H,2-3H3;1,3-6,8-9,15H,2H3;6-8H,1-5H3;1,5-6,8H,2-4H3;2-4H,1H3;1-3H;3*1-2H3;3-4H,1H3;;;/q2*-1;;-1;;;;;;;;;.
What are the key properties of 3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 2064.26 g/mol, XLogP of 16.76, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methylpyridine;3,5-dibromopyridine;ethane;3-[4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;methylboronic acid;3-[1-methyl-4-(5-methyl-3-pyridinyl)-2H-pyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-[4-(5-methyl-3-pyridinyl)-1,2-dihydropyrrol-2-id-3-yl]prop-2-enylidenetungsten;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 159415031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).