3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole

C57H52Cl7N9S — CID 158216497

IUPAC3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole
SMILESCc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1sc(Cl)cc1Cl
InChIInChI=1S/C10H11N.2C9H8ClN.3C8H7ClN2.C5H4Cl2S/c1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-3-4(6)2-5(7)8-3/h3-6,11H,1-2H3;2*2-5,11H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);2H,1H3
InChIKeyGCSGSBJXTGSWAM-UHFFFAOYSA-N
MW1143.34 g/mol
LogP19.98
Rot. Bonds

About 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole

3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole (PubChem CID 158216497) has the molecular formula C57H52Cl7N9S and a molecular weight of 1143.34 g/mol. Its IUPAC name is 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole.

Molecular Properties

Compound Name3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole
PubChem CID158216497
Molecular FormulaC57H52Cl7N9S
Molecular Weight1143.34 g/mol
Exact Mass1139.19
IUPAC Name3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole
SMILESCc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1sc(Cl)cc1Cl
InChIInChI=1S/C10H11N.2C9H8ClN.3C8H7ClN2.C5H4Cl2S/c1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-3-4(6)2-5(7)8-3/h3-6,11H,1-2H3;2*2-5,11H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);2H,1H3
InChIKeyGCSGSBJXTGSWAM-UHFFFAOYSA-N
XLogP19.98
TPSA133.41 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001143.34
LogP ≤ 519.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole with MolForge

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Related Compounds

3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;5-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;ethane
CID 145249397
5-[(E,4E)-4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]but-2-en-2-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;ethane
CID 145249722
4-[4-[[3-[6-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]-5-methylpyrimidin-4-yl]-1H-benzimidazol-3-ium-2-yl]methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 156898084
4-[4-[[3-[6-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]-5-methyl-4,5-dihydropyrimidin-4-yl]-1H-benzimidazol-3-ium-2-yl]methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 156898175
2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine;7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-thiophen-2-ylpyrimidin-2-yl]-2-methyl-5H-pyrrolo[2,3-b]pyrazine;7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-thiophen-2-ylpyrimidin-2-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine;5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-amine
CID 157132276
1-chloro-4-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole
CID 157302587
6-chloro-2-methyl-1-benzothiophene;bis(3-chloro-6-methyl-1H-indole);5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3,5-dichloro-2-methylthiophene
CID 157412436
2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole
CID 157422444
3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
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2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-thiophen-3-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine;7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-thiophen-2-ylpyrimidin-2-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine;7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-thiophen-3-ylpyrimidin-2-yl]-2-methyl-5H-pyrrolo[2,3-b]pyrazine;5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-amine
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6-tert-butyl-3-chloro-1H-indole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1H-indol-3-amine;6-tert-butyl-1-methylbenzimidazol-3-ium;6-tert-butyl-1-methylindol-3-amine;5-tert-butyl-3-methylpyridin-2-amine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;5-tert-butylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;chloride
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5-[4-carbazol-9-yl-6-(3-chlorophenyl)-1,3,5-triazin-2-yl]-20-phenyl-3,20-diaza-5-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-(4,6-dichloro-1,3,5-triazin-2-yl)carbazole;12-phenyl-11H-indolo[2,3-a]carbazole
CID 157978371

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole?
The IUPAC name of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole (CID 158216497) is 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole.
What is the SMILES notation for 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole?
The canonical SMILES for 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole is Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1sc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole?
The InChIKey is GCSGSBJXTGSWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.2C9H8ClN.3C8H7ClN2.C5H4Cl2S/c1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-3-4(6)2-5(7)8-3/h3-6,11H,1-2H3;2*2-5,11H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);2H,1H3.
What are the key properties of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole?
3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole has a molecular weight of 1143.34 g/mol, XLogP of 19.98, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole is sourced from PubChem (CID 158216497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).