2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid

C26H20ClF3N2O5 — CID 10459733

About 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid

2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid (PubChem CID 10459733) has the molecular formula C26H20ClF3N2O5 and a molecular weight of 532.90 g/mol. Its IUPAC name is 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid
• PubChem CID: 10459733
• Molecular Formula: C26H20ClF3N2O5
• Molecular Weight: 532.90 g/mol
• Exact Mass: 532.10
• IUPAC Name: 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid
• SMILES: Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1-c1cccc(OC(C)(C)C(=O)O)n1
• InChI: InChI=1S/C26H20ClF3N2O5/c1-14-22(23(33)15-7-9-16(27)10-8-15)18-12-11-17(36-26(28,29)30)13-19(18)32(14)20-5-4-6-21(31-20)37-25(2,3)24(34)35/h4-13H,1-3H3,(H,34,35)
• InChIKey: HBSUETPUJSVLGL-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 90.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.90
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid?

The IUPAC name of 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid (CID 10459733) is 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid.

What is the SMILES notation for 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid?

The canonical SMILES for 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid is Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1-c1cccc(OC(C)(C)C(=O)O)n1.

What is the InChIKey of 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid?

The InChIKey is HBSUETPUJSVLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N2O5/c1-14-22(23(33)15-7-9-16(27)10-8-15)18-12-11-17(36-26(28,29)30)13-19(18)32(14)20-5-4-6-21(31-20)37-25(2,3)24(34)35/h4-13H,1-3H3,(H,34,35).

What are the key properties of 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid?

2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid has a molecular weight of 532.90 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]oxy]-2-methylpropanoic acid is sourced from PubChem (CID 10459733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).