2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine

C105H139BBr4N7O15P4Si+ — CID 158028417

IUPAC2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine
SMILESCC1CCNC(c2ccc(P(C)(C)=O)cc2)C1.CCO[P+](=O)OCC.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1C=O.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(P(C)(C)=O)cc1.C[Si](C)(C)Br.Cc1ccnc(-c2ccc(Br)cc2)c1.Cc1ccnc(-c2ccc(P(C)(C)=O)cc2)c1.Cc1ccnc(Br)c1.OB(O)c1ccc(Br)cc1
InChIInChI=1S/C30H41N2O4P.C16H19NO4.C14H22NOP.C14H16NOP.C12H10BrN.C6H6BBrO2.C6H6BrN.C4H10O3P.C3H9BrSi/c1-20-13-15-31(26(17-20)22-9-11-23(12-10-22)37(7,8)34)19-25-24-14-16-32(29(33)36-30(3,4)5)28(24)21(2)18-27(25)35-6;1-10-8-13(20-5)12(9-18)11-6-7-17(14(10)11)15(19)21-16(2,3)4;2*1-11-8-9-15-14(10-11)12-4-6-13(7-5-12)17(2,3)16;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;8-6-3-1-5(2-4-6)7(9)10;1-5-2-3-8-6(7)4-5;1-3-6-8(5)7-4-2;1-5(2,3)4/h9-12,14,16,18,20,26H,13,15,17,19H2,1-8H3;6-9H,1-5H3;4-7,11,14-15H,8-10H2,1-3H3;4-10H,1-3H3;2-8H,1H3;1-4,9-10H;2-4H,1H3;3-4H2,1-2H3;1-3H3/q;;;;;;;+1;
InChIKeyPHOVTBYAWRJVRV-UHFFFAOYSA-N
MW2221.71 g/mol
LogP26.85
Rot. Bonds17

About 2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine

2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine (PubChem CID 158028417) has the molecular formula C105H139BBr4N7O15P4Si+ and a molecular weight of 2221.71 g/mol. Its IUPAC name is 2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine
PubChem CID158028417
Molecular FormulaC105H139BBr4N7O15P4Si+
Molecular Weight2221.71 g/mol
Exact Mass2216.59
IUPAC Name2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine
SMILESCC1CCNC(c2ccc(P(C)(C)=O)cc2)C1.CCO[P+](=O)OCC.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1C=O.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(P(C)(C)=O)cc1.C[Si](C)(C)Br.Cc1ccnc(-c2ccc(Br)cc2)c1.Cc1ccnc(-c2ccc(P(C)(C)=O)cc2)c1.Cc1ccnc(Br)c1.OB(O)c1ccc(Br)cc1
InChIInChI=1S/C30H41N2O4P.C16H19NO4.C14H22NOP.C14H16NOP.C12H10BrN.C6H6BBrO2.C6H6BrN.C4H10O3P.C3H9BrSi/c1-20-13-15-31(26(17-20)22-9-11-23(12-10-22)37(7,8)34)19-25-24-14-16-32(29(33)36-30(3,4)5)28(24)21(2)18-27(25)35-6;1-10-8-13(20-5)12(9-18)11-6-7-17(14(10)11)15(19)21-16(2,3)4;2*1-11-8-9-15-14(10-11)12-4-6-13(7-5-12)17(2,3)16;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;8-6-3-1-5(2-4-6)7(9)10;1-5-2-3-8-6(7)4-5;1-3-6-8(5)7-4-2;1-5(2,3)4/h9-12,14,16,18,20,26H,13,15,17,19H2,1-8H3;6-9H,1-5H3;4-7,11,14-15H,8-10H2,1-3H3;4-10H,1-3H3;2-8H,1H3;1-4,9-10H;2-4H,1H3;3-4H2,1-2H3;1-3H3/q;;;;;;;+1;
InChIKeyPHOVTBYAWRJVRV-UHFFFAOYSA-N
XLogP26.85
TPSA279.13 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002221.71
LogP ≤ 526.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze 2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine with MolForge

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Related Compounds

2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-ethoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;ethyl 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylate;ethyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate;ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate;ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 158845584
Lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;hydroxylamine;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride
CID 165006942
2-Bromo-4-methylpyridine;tert-butyl 4-[[2-(4-ethoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-ethyl-4-formyl-7-methylindole-1-carboxylate;ethyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate;ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate;ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 165105498

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine?
The IUPAC name of 2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine (CID 158028417) is 2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine.
What is the SMILES notation for 2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine?
The canonical SMILES for 2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine is CC1CCNC(c2ccc(P(C)(C)=O)cc2)C1.CCO[P+](=O)OCC.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1C=O.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(P(C)(C)=O)cc1.C[Si](C)(C)Br.Cc1ccnc(-c2ccc(Br)cc2)c1.Cc1ccnc(-c2ccc(P(C)(C)=O)cc2)c1.Cc1ccnc(Br)c1.OB(O)c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine?
The InChIKey is PHOVTBYAWRJVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N2O4P.C16H19NO4.C14H22NOP.C14H16NOP.C12H10BrN.C6H6BBrO2.C6H6BrN.C4H10O3P.C3H9BrSi/c1-20-13-15-31(26(17-20)22-9-11-23(12-10-22)37(7,8)34)19-25-24-14-16-32(29(33)36-30(3,4)5)28(24)21(2)18-27(25)35-6;1-10-8-13(20-5)12(9-18)11-6-7-17(14(10)11)15(19)21-16(2,3)4;2*1-11-8-9-15-14(10-11)12-4-6-13(7-5-12)17(2,3)16;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;8-6-3-1-5(2-4-6)7(9)10;1-5-2-3-8-6(7)4-5;1-3-6-8(5)7-4-2;1-5(2,3)4/h9-12,14,16,18,20,26H,13,15,17,19H2,1-8H3;6-9H,1-5H3;4-7,11,14-15H,8-10H2,1-3H3;4-10H,1-3H3;2-8H,1H3;1-4,9-10H;2-4H,1H3;3-4H2,1-2H3;1-3H3/q;;;;;;;+1;.
What are the key properties of 2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine?
2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine has a molecular weight of 2221.71 g/mol, XLogP of 26.85, 17 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methylpyridine;(4-bromophenyl)boronic acid;2-(4-bromophenyl)-4-methylpyridine;bromo(trimethyl)silane;tert-butyl 4-[[2-(4-dimethylphosphorylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;diethoxy(oxo)phosphanium;2-(4-dimethylphosphorylphenyl)-4-methylpiperidine;2-(4-dimethylphosphorylphenyl)-4-methylpyridine is sourced from PubChem (CID 158028417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).