6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine

C230H204Br6Cl6F6N22O15S14 — CID 160921332

IUPAC6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine
SMILESCC1=Cc2ccc(Br)cc2S1(=O)=O.CC1=Cc2ccc(Cl)cc2S1(=O)=O.CC1=Cc2ccc(F)cc2S1(=O)=O.COOSc1ccccc1C.Cc1cc2ccc(Br)cc2[nH]1.Cc1cc2ccc(Br)cc2o1.Cc1cc2ccc(Br)cc2s1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(F)cc2[nH]1.Cc1cc2ccc(F)cc2s1.Cc1cc2cccnc2[nH]1.Cc1cc2ccncc2[nH]1.Cc1cc2cnccc2[nH]1.Cc1cc2ncccc2[nH]1.Cc1ccccc1C(N)=O.Cc1ccccc1F.Cc1ccccc1SOON.Cc1ccccc1[N+](=O)[O-].Cc1ccccn1.Cc1nc2cc(Br)ccc2s1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2cc(F)ccc2s1.Cc1nc2ccc(Br)cc2s1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccc(F)cc2s1.[C-]#[N+]c1ccccc1C
InChIInChI=1S/C9H8BrN.C9H7BrO2S.C9H7BrO.C9H7BrS.C9H8ClN.C9H7ClO2S.C9H7ClO.C9H7ClS.C9H8FN.C9H7FO2S.C9H7FS.2C8H6BrNS.2C8H6ClNS.2C8H6FNS.4C8H8N2.C8H9NO.C8H7N.C8H10O2S.C7H7F.C7H9NO2S.C7H7NO2.C6H7N/c1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)13(6,11)12;3*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)13(6,11)12;3*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)13(6,11)12;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-6-4-7-5-9-3-2-8(7)10-6;1-6-4-7-2-3-9-5-8(7)10-6;1-6-5-8-7(10-6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)10-6;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)9-2;1-7-5-3-4-6-8(7)11-10-9-2;1-6-4-2-3-5-7(6)8;1-6-4-2-3-5-7(6)11-10-9-8;1-6-4-2-3-5-7(6)8(9)10;1-6-4-2-3-5-7-6/h2-5,11H,1H3;2-5H,1H3;2*2-5H,1H3;2-5,11H,1H3;2-5H,1H3;2*2-5H,1H3;2-5,11H,1H3;2-5H,1H3;2-5H,1H3;6*2-4H,1H3;3*2-5,10H,1H3;2-5H,1H3,(H,9,10);2-5H,1H3,(H2,9,10);3-6H,1H3;3-6H,1-2H3;2-5H,1H3;2-5H,8H2,1H3;2-5H,1H3;2-5H,1H3
InChIKeySSBLXXLTNNCPEI-UHFFFAOYSA-N
MW4771.37 g/mol
LogP73.82
Rot. Bonds8

About 6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine

6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 160921332) has the molecular formula C230H204Br6Cl6F6N22O15S14 and a molecular weight of 4771.37 g/mol. Its IUPAC name is 6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID160921332
Molecular FormulaC230H204Br6Cl6F6N22O15S14
Molecular Weight4771.37 g/mol
Exact Mass4758.51
IUPAC Name6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine
SMILESCC1=Cc2ccc(Br)cc2S1(=O)=O.CC1=Cc2ccc(Cl)cc2S1(=O)=O.CC1=Cc2ccc(F)cc2S1(=O)=O.COOSc1ccccc1C.Cc1cc2ccc(Br)cc2[nH]1.Cc1cc2ccc(Br)cc2o1.Cc1cc2ccc(Br)cc2s1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(F)cc2[nH]1.Cc1cc2ccc(F)cc2s1.Cc1cc2cccnc2[nH]1.Cc1cc2ccncc2[nH]1.Cc1cc2cnccc2[nH]1.Cc1cc2ncccc2[nH]1.Cc1ccccc1C(N)=O.Cc1ccccc1F.Cc1ccccc1SOON.Cc1ccccc1[N+](=O)[O-].Cc1ccccn1.Cc1nc2cc(Br)ccc2s1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2cc(F)ccc2s1.Cc1nc2ccc(Br)cc2s1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccc(F)cc2s1.[C-]#[N+]c1ccccc1C
InChIInChI=1S/C9H8BrN.C9H7BrO2S.C9H7BrO.C9H7BrS.C9H8ClN.C9H7ClO2S.C9H7ClO.C9H7ClS.C9H8FN.C9H7FO2S.C9H7FS.2C8H6BrNS.2C8H6ClNS.2C8H6FNS.4C8H8N2.C8H9NO.C8H7N.C8H10O2S.C7H7F.C7H9NO2S.C7H7NO2.C6H7N/c1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)13(6,11)12;3*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)13(6,11)12;3*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)13(6,11)12;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-6-4-7-5-9-3-2-8(7)10-6;1-6-4-7-2-3-9-5-8(7)10-6;1-6-5-8-7(10-6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)10-6;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)9-2;1-7-5-3-4-6-8(7)11-10-9-2;1-6-4-2-3-5-7(6)8;1-6-4-2-3-5-7(6)11-10-9-8;1-6-4-2-3-5-7(6)8(9)10;1-6-4-2-3-5-7-6/h2-5,11H,1H3;2-5H,1H3;2*2-5H,1H3;2-5,11H,1H3;2-5H,1H3;2*2-5H,1H3;2-5,11H,1H3;2-5H,1H3;2-5H,1H3;6*2-4H,1H3;3*2-5,10H,1H3;2-5H,1H3,(H,9,10);2-5H,1H3,(H2,9,10);3-6H,1H3;3-6H,1-2H3;2-5H,1H3;2-5H,8H2,1H3;2-5H,1H3;2-5H,1H3
InChIKeySSBLXXLTNNCPEI-UHFFFAOYSA-N
XLogP73.82
TPSA534.55 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds8
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004771.37
LogP ≤ 573.82
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Analyze 6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine (CID 160921332) is 6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine is CC1=Cc2ccc(Br)cc2S1(=O)=O.CC1=Cc2ccc(Cl)cc2S1(=O)=O.CC1=Cc2ccc(F)cc2S1(=O)=O.COOSc1ccccc1C.Cc1cc2ccc(Br)cc2[nH]1.Cc1cc2ccc(Br)cc2o1.Cc1cc2ccc(Br)cc2s1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(F)cc2[nH]1.Cc1cc2ccc(F)cc2s1.Cc1cc2cccnc2[nH]1.Cc1cc2ccncc2[nH]1.Cc1cc2cnccc2[nH]1.Cc1cc2ncccc2[nH]1.Cc1ccccc1C(N)=O.Cc1ccccc1F.Cc1ccccc1SOON.Cc1ccccc1[N+](=O)[O-].Cc1ccccn1.Cc1nc2cc(Br)ccc2s1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2cc(F)ccc2s1.Cc1nc2ccc(Br)cc2s1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccc(F)cc2s1.[C-]#[N+]c1ccccc1C.
What is the InChIKey of 6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is SSBLXXLTNNCPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN.C9H7BrO2S.C9H7BrO.C9H7BrS.C9H8ClN.C9H7ClO2S.C9H7ClO.C9H7ClS.C9H8FN.C9H7FO2S.C9H7FS.2C8H6BrNS.2C8H6ClNS.2C8H6FNS.4C8H8N2.C8H9NO.C8H7N.C8H10O2S.C7H7F.C7H9NO2S.C7H7NO2.C6H7N/c1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)13(6,11)12;3*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)13(6,11)12;3*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)13(6,11)12;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-6-4-7-5-9-3-2-8(7)10-6;1-6-4-7-2-3-9-5-8(7)10-6;1-6-5-8-7(10-6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)10-6;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)9-2;1-7-5-3-4-6-8(7)11-10-9-2;1-6-4-2-3-5-7(6)8;1-6-4-2-3-5-7(6)11-10-9-8;1-6-4-2-3-5-7(6)8(9)10;1-6-4-2-3-5-7-6/h2-5,11H,1H3;2-5H,1H3;2*2-5H,1H3;2-5,11H,1H3;2-5H,1H3;2*2-5H,1H3;2-5,11H,1H3;2-5H,1H3;2-5H,1H3;6*2-4H,1H3;3*2-5,10H,1H3;2-5H,1H3,(H,9,10);2-5H,1H3,(H2,9,10);3-6H,1H3;3-6H,1-2H3;2-5H,1H3;2-5H,8H2,1H3;2-5H,1H3;2-5H,1H3.
What are the key properties of 6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine?
6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 4771.37 g/mol, XLogP of 73.82, 8 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-1-benzofuran;5-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1,3-benzothiazole;6-bromo-2-methyl-1-benzothiophene;6-bromo-2-methyl-1-benzothiophene 1,1-dioxide;6-bromo-2-methyl-1H-indole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene 1,1-dioxide;6-chloro-2-methyl-1H-indole;1-fluoro-2-methylbenzene;5-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methyl-1-benzothiophene 1,1-dioxide;6-fluoro-2-methyl-1H-indole;1-isocyano-2-methylbenzene;2-methylbenzamide;1-methyl-2-methylperoxysulfanylbenzene;1-methyl-2-nitrobenzene;O-(2-methylphenyl)sulfanyloxyhydroxylamine;2-methylpyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;2-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 160921332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).