(2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol

C56H50F21N11O7 — CID 161303856

About (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol

(2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol (PubChem CID 161303856) has the molecular formula C56H50F21N11O7 and a molecular weight of 1388.04 g/mol. Its IUPAC name is (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol
• PubChem CID: 161303856
• Molecular Formula: C56H50F21N11O7
• Molecular Weight: 1388.04 g/mol
• Exact Mass: 1387.36
• IUPAC Name: (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol
• SMILES: C=Cc1ccc(C(F)(F)F)nc1.CC[C@H](O)c1ccc(C(F)(F)F)nc1.FC(F)(F)c1ccc([C@@H]2CO2)cn1.N[C@H](CO)c1ccc(C(F)(F)F)nc1.O=Cc1ccc(C(F)(F)F)nc1.OC[C@H](O)c1ccc(C(F)(F)F)nc1.[N-]=[N+]=N[C@H](CO)c1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C9H10F3NO.C8H7F3N4O.C8H9F3N2O.C8H8F3NO2.C8H6F3NO.C8H6F3N.C7H4F3NO/c1-2-7(14)6-3-4-8(13-5-6)9(10,11)12;9-8(10,11)7-2-1-5(3-13-7)6(4-16)14-15-12;9-8(10,11)7-2-1-5(3-13-7)6(12)4-14;9-8(10,11)7-2-1-5(3-12-7)6(14)4-13;9-8(10,11)7-2-1-5(3-12-7)6-4-13-6;1-2-6-3-4-7(12-5-6)8(9,10)11;8-7(9,10)6-2-1-5(4-12)3-11-6/h3-5,7,14H,2H2,1H3;1-3,6,16H,4H2;1-3,6,14H,4,12H2;1-3,6,13-14H,4H2;1-3,6H,4H2;2-5H,1H2;1-4H/t7-;4*6-;;/m01100../s1
• InChIKey: VHZBEDGFPMGISJ-ADXXSNEBSA-N
• XLogP: 14.03
• TPSA: 295.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1388.04
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol?

The IUPAC name of (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol (CID 161303856) is (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol.

What is the SMILES notation for (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol?

The canonical SMILES for (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol is C=Cc1ccc(C(F)(F)F)nc1.CC[C@H](O)c1ccc(C(F)(F)F)nc1.FC(F)(F)c1ccc([C@@H]2CO2)cn1.N[C@H](CO)c1ccc(C(F)(F)F)nc1.O=Cc1ccc(C(F)(F)F)nc1.OC[C@H](O)c1ccc(C(F)(F)F)nc1.[N-]=[N+]=N[C@H](CO)c1ccc(C(F)(F)F)nc1.

What is the InChIKey of (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol?

The InChIKey is VHZBEDGFPMGISJ-ADXXSNEBSA-N. The full InChI is InChI=1S/C9H10F3NO.C8H7F3N4O.C8H9F3N2O.C8H8F3NO2.C8H6F3NO.C8H6F3N.C7H4F3NO/c1-2-7(14)6-3-4-8(13-5-6)9(10,11)12;9-8(10,11)7-2-1-5(3-13-7)6(4-16)14-15-12;9-8(10,11)7-2-1-5(3-13-7)6(12)4-14;9-8(10,11)7-2-1-5(3-12-7)6(14)4-13;9-8(10,11)7-2-1-5(3-12-7)6-4-13-6;1-2-6-3-4-7(12-5-6)8(9,10)11;8-7(9,10)6-2-1-5(4-12)3-11-6/h3-5,7,14H,2H2,1H3;1-3,6,16H,4H2;1-3,6,14H,4,12H2;1-3,6,13-14H,4H2;1-3,6H,4H2;2-5H,1H2;1-4H/t7-;4*6-;;/m01100../s1.

What are the key properties of (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol?

(2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol has a molecular weight of 1388.04 g/mol, XLogP of 14.03, 12 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 161303856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).