2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol

C26H30Cl2F3N3O2 — CID 158686730

About 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol

2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 158686730) has the molecular formula C26H30Cl2F3N3O2 and a molecular weight of 544.45 g/mol. Its IUPAC name is 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

• Compound Name: 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol
• PubChem CID: 158686730
• Molecular Formula: C26H30Cl2F3N3O2
• Molecular Weight: 544.45 g/mol
• Exact Mass: 543.17
• IUPAC Name: 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol
• SMILES: OCCN(CCO)CC1C2=C(CCN1CCCc1ccc(Cl)c(C(F)(F)F)n1)c1cc(Cl)ccc1C2
• InChI: InChI=1S/C26H30Cl2F3N3O2/c27-18-4-3-17-14-22-20(21(17)15-18)7-9-34(24(22)16-33(10-12-35)11-13-36)8-1-2-19-5-6-23(28)25(32-19)26(29,30)31/h3-6,15,24,35-36H,1-2,7-14,16H2
• InChIKey: IFVIBFPGGYHAHL-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 59.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.45
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol?

The IUPAC name of 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol (CID 158686730) is 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol.

What is the SMILES notation for 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol?

The canonical SMILES for 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CC1C2=C(CCN1CCCc1ccc(Cl)c(C(F)(F)F)n1)c1cc(Cl)ccc1C2.

What is the InChIKey of 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol?

The InChIKey is IFVIBFPGGYHAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2F3N3O2/c27-18-4-3-17-14-22-20(21(17)15-18)7-9-34(24(22)16-33(10-12-35)11-13-36)8-1-2-19-5-6-23(28)25(32-19)26(29,30)31/h3-6,15,24,35-36H,1-2,7-14,16H2.

What are the key properties of 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol?

2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 544.45 g/mol, XLogP of 4.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 158686730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).