2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide

C100H109AlBBr3Cl3CuN12O24S — CID 160983800

IUPAC2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide
SMILESBrc1cccc(-c2nncn2C2CC2)n1.C.C.COC(=O)c1cc(OC)c(C)cc1Br.COC(=O)c1cc(OC)c(C)cc1C#N.COc1cc(C(=O)O)c(Br)cc1C.COc1cc(C(=O)O)ccc1C.COc1cc2c(cc1C)CNC2=O.Cc1cc2c(cc1-c1cccnc1)C(=O)NC2.Cc1cc2c(cc1C)C(=O)NC2.Cc1cc2c(cc1O)C(=O)NC2.Cl[Al](Cl)Cl.O=S(=O)(O)O.OB(O)c1cccnc1.[C-]#N.[Cu+]
InChIInChI=1S/C14H12N2O.C11H11NO3.C10H9BrN4.C10H11BrO3.C10H11NO2.C10H11NO.C9H9BrO3.C9H9NO2.C9H10O3.C5H6BNO2.CN.2CH4.Al.3ClH.Cu.H2O4S/c1-9-5-11-8-16-14(17)13(11)6-12(9)10-3-2-4-15-7-10;1-7-4-8(6-12)9(11(13)15-3)5-10(7)14-2;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;1-6-4-8(11)7(10(12)14-3)5-9(6)13-2;1-6-3-7-5-11-10(12)8(7)4-9(6)13-2;1-6-3-8-5-11-10(12)9(8)4-7(6)2;1-5-3-7(10)6(9(11)12)4-8(5)13-2;1-5-2-6-4-10-9(12)7(6)3-8(5)11;1-6-3-4-7(9(10)11)5-8(6)12-2;8-6(9)5-2-1-3-7-4-5;1-2;;;;;;;;1-5(2,3)4/h2-7H,8H2,1H3,(H,16,17);4-5H,1-3H3;1-3,6-7H,4-5H2;4-5H,1-3H3;3-4H,5H2,1-2H3,(H,11,12);3-4H,5H2,1-2H3,(H,11,12);3-4H,1-2H3,(H,11,12);2-3,11H,4H2,1H3,(H,10,12);3-5H,1-2H3,(H,10,11);1-4,8-9H;;2*1H4;;3*1H;;(H2,1,2,3,4)/q;;;;;;;;;;-1;;;+3;;;;+1;/p-3
InChIKeySWKNBHOUYMYFLX-UHFFFAOYSA-K
MW2342.51 g/mol
LogP18.02
Rot. Bonds13

About 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide

2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide (PubChem CID 160983800) has the molecular formula C100H109AlBBr3Cl3CuN12O24S and a molecular weight of 2342.51 g/mol. Its IUPAC name is 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide.

Molecular Properties

Compound Name2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide
PubChem CID160983800
Molecular FormulaC100H109AlBBr3Cl3CuN12O24S
Molecular Weight2342.51 g/mol
Exact Mass2336.32
IUPAC Name2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide
SMILESBrc1cccc(-c2nncn2C2CC2)n1.C.C.COC(=O)c1cc(OC)c(C)cc1Br.COC(=O)c1cc(OC)c(C)cc1C#N.COc1cc(C(=O)O)c(Br)cc1C.COc1cc(C(=O)O)ccc1C.COc1cc2c(cc1C)CNC2=O.Cc1cc2c(cc1-c1cccnc1)C(=O)NC2.Cc1cc2c(cc1C)C(=O)NC2.Cc1cc2c(cc1O)C(=O)NC2.Cl[Al](Cl)Cl.O=S(=O)(O)O.OB(O)c1cccnc1.[C-]#N.[Cu+]
InChIInChI=1S/C14H12N2O.C11H11NO3.C10H9BrN4.C10H11BrO3.C10H11NO2.C10H11NO.C9H9BrO3.C9H9NO2.C9H10O3.C5H6BNO2.CN.2CH4.Al.3ClH.Cu.H2O4S/c1-9-5-11-8-16-14(17)13(11)6-12(9)10-3-2-4-15-7-10;1-7-4-8(6-12)9(11(13)15-3)5-10(7)14-2;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;1-6-4-8(11)7(10(12)14-3)5-9(6)13-2;1-6-3-7-5-11-10(12)8(7)4-9(6)13-2;1-6-3-8-5-11-10(12)9(8)4-7(6)2;1-5-3-7(10)6(9(11)12)4-8(5)13-2;1-5-2-6-4-10-9(12)7(6)3-8(5)11;1-6-3-4-7(9(10)11)5-8(6)12-2;8-6(9)5-2-1-3-7-4-5;1-2;;;;;;;;1-5(2,3)4/h2-7H,8H2,1H3,(H,16,17);4-5H,1-3H3;1-3,6-7H,4-5H2;4-5H,1-3H3;3-4H,5H2,1-2H3,(H,11,12);3-4H,5H2,1-2H3,(H,11,12);3-4H,1-2H3,(H,11,12);2-3,11H,4H2,1H3,(H,10,12);3-5H,1-2H3,(H,10,11);1-4,8-9H;;2*1H4;;3*1H;;(H2,1,2,3,4)/q;;;;;;;;;;-1;;;+3;;;;+1;/p-3
InChIKeySWKNBHOUYMYFLX-UHFFFAOYSA-K
XLogP18.02
TPSA542.00 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002342.51
LogP ≤ 518.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide with MolForge

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Launch Full Analysis

Related Compounds

CID 157923595
CID 157923595
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide
CID 159027319
CID 160609352
CID 160609352

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide?
The IUPAC name of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide (CID 160983800) is 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide.
What is the SMILES notation for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide?
The canonical SMILES for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide is Brc1cccc(-c2nncn2C2CC2)n1.C.C.COC(=O)c1cc(OC)c(C)cc1Br.COC(=O)c1cc(OC)c(C)cc1C#N.COc1cc(C(=O)O)c(Br)cc1C.COc1cc(C(=O)O)ccc1C.COc1cc2c(cc1C)CNC2=O.Cc1cc2c(cc1-c1cccnc1)C(=O)NC2.Cc1cc2c(cc1C)C(=O)NC2.Cc1cc2c(cc1O)C(=O)NC2.Cl[Al](Cl)Cl.O=S(=O)(O)O.OB(O)c1cccnc1.[C-]#N.[Cu+].
What is the InChIKey of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide?
The InChIKey is SWKNBHOUYMYFLX-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H12N2O.C11H11NO3.C10H9BrN4.C10H11BrO3.C10H11NO2.C10H11NO.C9H9BrO3.C9H9NO2.C9H10O3.C5H6BNO2.CN.2CH4.Al.3ClH.Cu.H2O4S/c1-9-5-11-8-16-14(17)13(11)6-12(9)10-3-2-4-15-7-10;1-7-4-8(6-12)9(11(13)15-3)5-10(7)14-2;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;1-6-4-8(11)7(10(12)14-3)5-9(6)13-2;1-6-3-7-5-11-10(12)8(7)4-9(6)13-2;1-6-3-8-5-11-10(12)9(8)4-7(6)2;1-5-3-7(10)6(9(11)12)4-8(5)13-2;1-5-2-6-4-10-9(12)7(6)3-8(5)11;1-6-3-4-7(9(10)11)5-8(6)12-2;8-6(9)5-2-1-3-7-4-5;1-2;;;;;;;;1-5(2,3)4/h2-7H,8H2,1H3,(H,16,17);4-5H,1-3H3;1-3,6-7H,4-5H2;4-5H,1-3H3;3-4H,5H2,1-2H3,(H,11,12);3-4H,5H2,1-2H3,(H,11,12);3-4H,1-2H3,(H,11,12);2-3,11H,4H2,1H3,(H,10,12);3-5H,1-2H3,(H,10,11);1-4,8-9H;;2*1H4;;3*1H;;(H2,1,2,3,4)/q;;;;;;;;;;-1;;;+3;;;;+1;/p-3.
What are the key properties of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide?
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide has a molecular weight of 2342.51 g/mol, XLogP of 18.02, 13 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;sulfuric acid;trichloroalumane;cyanide is sourced from PubChem (CID 160983800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).