2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen

C211H198Br2Cl15F2N13O5S9 — CID 162103159

IUPAC2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen
SMILESCc1c[nH]c2cc(Cl)ccc12.Cc1c[nH]c2ccc(Cl)cc12.Cc1cc2c(Cl)cccc2[nH]1.Cc1cc2c(Cl)cccc2o1.Cc1cc2c(Cl)cccc2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(O)cc2[nH]1.Cc1cc2ccc(O)cc2o1.Cc1cc2ccc(O)cc2s1.Cc1cc2ccccc2s1.Cc1ccc(-c2cc(Cl)cs2)s1.Cc1ccc(-c2ncc(Cl)s2)s1.Cc1ccc(-c2nnc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc2[nH]cc(Cl)c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(F)cc2c1.Cc1ccc2ccccc2c1.Cc1nc2ccc(Cl)cc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C11H9Br.2C11H9F.C11H10.7C9H8ClN.C9H7ClO.C9H7ClS2.C9H7ClS.C9H9NO.C9H8O2.C9H8OS.C9H8S.C8H7ClN2.C8H6ClNS2.C7H6Cl2.C7H5ClN2S2.9H2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-9-7(4-6)8(10)5-11-9;1-6-2-3-7-8(10)5-11-9(7)4-6;2*1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-2-3-8(12-6)9-4-7(10)5-11-9;1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-4-7-2-3-8(11)5-9(7)10-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-7-6-8-4-2-3-5-9(8)10-7;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-3-6(11-5)8-10-4-7(9)12-8;1-5-2-3-6(8)7(9)4-5;1-4-2-3-5(11-4)6-9-10-7(8)12-6;;;;;;;;;/h4*2-7H,1H3;2-8H,1H3;7*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;2-5H,1H3;2-5,10-11H,1H3;2*2-5,10H,1H3;2-6H,1H3;2-4H,1H3,(H,10,11);2-4H,1H3;2-4H,1H3;2-3H,1H3;9*1H
InChIKeyZFDRFHKZFPFUFQ-UHFFFAOYSA-N
MW4014.19 g/mol
LogP77.00
Rot. Bonds3

About 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen

2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen (PubChem CID 162103159) has the molecular formula C211H198Br2Cl15F2N13O5S9 and a molecular weight of 4014.19 g/mol. Its IUPAC name is 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen.

Molecular Properties

Compound Name2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen
PubChem CID162103159
Molecular FormulaC211H198Br2Cl15F2N13O5S9
Molecular Weight4014.19 g/mol
Exact Mass4001.68
IUPAC Name2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen
SMILESCc1c[nH]c2cc(Cl)ccc12.Cc1c[nH]c2ccc(Cl)cc12.Cc1cc2c(Cl)cccc2[nH]1.Cc1cc2c(Cl)cccc2o1.Cc1cc2c(Cl)cccc2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(O)cc2[nH]1.Cc1cc2ccc(O)cc2o1.Cc1cc2ccc(O)cc2s1.Cc1cc2ccccc2s1.Cc1ccc(-c2cc(Cl)cs2)s1.Cc1ccc(-c2ncc(Cl)s2)s1.Cc1ccc(-c2nnc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc2[nH]cc(Cl)c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(F)cc2c1.Cc1ccc2ccccc2c1.Cc1nc2ccc(Cl)cc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C11H9Br.2C11H9F.C11H10.7C9H8ClN.C9H7ClO.C9H7ClS2.C9H7ClS.C9H9NO.C9H8O2.C9H8OS.C9H8S.C8H7ClN2.C8H6ClNS2.C7H6Cl2.C7H5ClN2S2.9H2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-9-7(4-6)8(10)5-11-9;1-6-2-3-7-8(10)5-11-9(7)4-6;2*1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-2-3-8(12-6)9-4-7(10)5-11-9;1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-4-7-2-3-8(11)5-9(7)10-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-7-6-8-4-2-3-5-9(8)10-7;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-3-6(11-5)8-10-4-7(9)12-8;1-5-2-3-6(8)7(9)4-5;1-4-2-3-5(11-4)6-9-10-7(8)12-6;;;;;;;;;/h4*2-7H,1H3;2-8H,1H3;7*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;2-5H,1H3;2-5,10-11H,1H3;2*2-5,10H,1H3;2-6H,1H3;2-4H,1H3,(H,10,11);2-4H,1H3;2-4H,1H3;2-3H,1H3;9*1H
InChIKeyZFDRFHKZFPFUFQ-UHFFFAOYSA-N
XLogP77.00
TPSA280.64 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds3
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004014.19
LogP ≤ 577.00
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen with MolForge

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Related Compounds

6-chloro-2-methyl-1H-benzimidazole;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine
CID 157457107
2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methylnaphthalene
CID 157550292
2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene
CID 158898561
2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline
CID 159285008
6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2,3-dimethyl-1-benzothiophen-6-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylnaphthalene
CID 159396155
2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene
CID 159475240
2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophen-6-ol;bis(2-methylnaphthalene);6-methylquinoline
CID 160441948
2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methylnaphthalene
CID 160792478

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen?
The IUPAC name of 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen (CID 162103159) is 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen.
What is the SMILES notation for 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen?
The canonical SMILES for 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen is Cc1c[nH]c2cc(Cl)ccc12.Cc1c[nH]c2ccc(Cl)cc12.Cc1cc2c(Cl)cccc2[nH]1.Cc1cc2c(Cl)cccc2o1.Cc1cc2c(Cl)cccc2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(O)cc2[nH]1.Cc1cc2ccc(O)cc2o1.Cc1cc2ccc(O)cc2s1.Cc1cc2ccccc2s1.Cc1ccc(-c2cc(Cl)cs2)s1.Cc1ccc(-c2ncc(Cl)s2)s1.Cc1ccc(-c2nnc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc2[nH]cc(Cl)c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(F)cc2c1.Cc1ccc2ccccc2c1.Cc1nc2ccc(Cl)cc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen?
The InChIKey is ZFDRFHKZFPFUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9Br.2C11H9F.C11H10.7C9H8ClN.C9H7ClO.C9H7ClS2.C9H7ClS.C9H9NO.C9H8O2.C9H8OS.C9H8S.C8H7ClN2.C8H6ClNS2.C7H6Cl2.C7H5ClN2S2.9H2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-9-7(4-6)8(10)5-11-9;1-6-2-3-7-8(10)5-11-9(7)4-6;2*1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-2-3-8(12-6)9-4-7(10)5-11-9;1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-4-7-2-3-8(11)5-9(7)10-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-7-6-8-4-2-3-5-9(8)10-7;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-3-6(11-5)8-10-4-7(9)12-8;1-5-2-3-6(8)7(9)4-5;1-4-2-3-5(11-4)6-9-10-7(8)12-6;;;;;;;;;/h4*2-7H,1H3;2-8H,1H3;7*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;2-5H,1H3;2-5,10-11H,1H3;2*2-5,10H,1H3;2-6H,1H3;2-4H,1H3,(H,10,11);2-4H,1H3;2-4H,1H3;2-3H,1H3;9*1H.
What are the key properties of 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen?
2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen has a molecular weight of 4014.19 g/mol, XLogP of 77.00, 3 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;2-(4-chlorothiophen-2-yl)-5-methylthiophene;1,2-dichloro-4-methylbenzene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-methyl-1-benzofuran-6-ol;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1H-indol-6-ol;2-methylnaphthalene;molecular hydrogen is sourced from PubChem (CID 162103159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).