6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde

C53H41Cl3F9N3O6 — CID 159584610

About 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde

6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde (PubChem CID 159584610) has the molecular formula C53H41Cl3F9N3O6 and a molecular weight of 1093.27 g/mol. Its IUPAC name is 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde.

Molecular Properties

• Compound Name: 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde
• PubChem CID: 159584610
• Molecular Formula: C53H41Cl3F9N3O6
• Molecular Weight: 1093.27 g/mol
• Exact Mass: 1091.19
• IUPAC Name: 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde
• SMILES: Cc1[nH]c2cc(Cl)ccc2c1Cc1cccc(OC(F)(F)F)c1.Cc1c(Cc2cccc(OC(F)(F)F)c2)c2ccc(Cl)cc2n1CC(=O)O.Cc1cc2ccc(Cl)cc2[nH]1.O=Cc1cccc(OC(F)(F)F)c1
• InChI: InChI=1S/C19H15ClF3NO3.C17H13ClF3NO.C9H8ClN.C8H5F3O2/c1-11-16(8-12-3-2-4-14(7-12)27-19(21,22)23)15-6-5-13(20)9-17(15)24(11)10-18(25)26;1-10-15(14-6-5-12(18)9-16(14)22-10)8-11-3-2-4-13(7-11)23-17(19,20)21;1-6-4-7-2-3-8(10)5-9(7)11-6;9-8(10,11)13-7-3-1-2-6(4-7)5-12/h2-7,9H,8,10H2,1H3,(H,25,26);2-7,9,22H,8H2,1H3;2-5,11H,1H3;1-5H
• InChIKey: MJLMCPVZWAVFNY-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 118.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.27
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde?

The IUPAC name of 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde (CID 159584610) is 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde.

What is the SMILES notation for 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde?

The canonical SMILES for 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde is Cc1[nH]c2cc(Cl)ccc2c1Cc1cccc(OC(F)(F)F)c1.Cc1c(Cc2cccc(OC(F)(F)F)c2)c2ccc(Cl)cc2n1CC(=O)O.Cc1cc2ccc(Cl)cc2[nH]1.O=Cc1cccc(OC(F)(F)F)c1.

What is the InChIKey of 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde?

The InChIKey is MJLMCPVZWAVFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3NO3.C17H13ClF3NO.C9H8ClN.C8H5F3O2/c1-11-16(8-12-3-2-4-14(7-12)27-19(21,22)23)15-6-5-13(20)9-17(15)24(11)10-18(25)26;1-10-15(14-6-5-12(18)9-16(14)22-10)8-11-3-2-4-13(7-11)23-17(19,20)21;1-6-4-7-2-3-8(10)5-9(7)11-6;9-8(10,11)13-7-3-1-2-6(4-7)5-12/h2-7,9H,8,10H2,1H3,(H,25,26);2-7,9,22H,8H2,1H3;2-5,11H,1H3;1-5H.

What are the key properties of 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde?

6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde has a molecular weight of 1093.27 g/mol, XLogP of 16.32, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-methyl-1H-indole;6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 159584610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).