2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione

C40H27Cl2F3N6O5 — CID 157205483

About 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione

2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione (PubChem CID 157205483) has the molecular formula C40H27Cl2F3N6O5 and a molecular weight of 799.59 g/mol. Its IUPAC name is 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione
• PubChem CID: 157205483
• Molecular Formula: C40H27Cl2F3N6O5
• Molecular Weight: 799.59 g/mol
• Exact Mass: 798.14
• IUPAC Name: 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione
• SMILES: Cc1ccc(-c2cc(CN3C(=O)c4ccccc4C3=O)ncc2Cl)cn1.O=C1NC(=O)c2ccccc21.OCc1cc(-c2ccc(C(F)(F)F)nc2)c(Cl)cn1
• InChI: InChI=1S/C20H14ClN3O2.C12H8ClF3N2O.C8H5NO2/c1-12-6-7-13(9-22-12)17-8-14(23-10-18(17)21)11-24-19(25)15-4-2-3-5-16(15)20(24)26;13-10-5-17-8(6-19)3-9(10)7-1-2-11(18-4-7)12(14,15)16;10-7-5-3-1-2-4-6(5)8(11)9-7/h2-10H,11H2,1H3;1-5,19H,6H2;1-4H,(H,9,10,11)
• InChIKey: ARHNPSNVZFGLOR-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 155.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.59
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione?

The IUPAC name of 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione (CID 157205483) is 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione.

What is the SMILES notation for 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione?

The canonical SMILES for 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione is Cc1ccc(-c2cc(CN3C(=O)c4ccccc4C3=O)ncc2Cl)cn1.O=C1NC(=O)c2ccccc21.OCc1cc(-c2ccc(C(F)(F)F)nc2)c(Cl)cn1.

What is the InChIKey of 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione?

The InChIKey is ARHNPSNVZFGLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2.C12H8ClF3N2O.C8H5NO2/c1-12-6-7-13(9-22-12)17-8-14(23-10-18(17)21)11-24-19(25)15-4-2-3-5-16(15)20(24)26;13-10-5-17-8(6-19)3-9(10)7-1-2-11(18-4-7)12(14,15)16;10-7-5-3-1-2-4-6(5)8(11)9-7/h2-10H,11H2,1H3;1-5,19H,6H2;1-4H,(H,9,10,11).

What are the key properties of 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione?

2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione has a molecular weight of 799.59 g/mol, XLogP of 7.78, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione is sourced from PubChem (CID 157205483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).