2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol

C88H111F3N8O9 — CID 160834262

About 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol

2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol (PubChem CID 160834262) has the molecular formula C88H111F3N8O9 and a molecular weight of 1481.90 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol
• PubChem CID: 160834262
• Molecular Formula: C88H111F3N8O9
• Molecular Weight: 1481.90 g/mol
• Exact Mass: 1480.84
• IUPAC Name: 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol
• SMILES: CC(C)(C)C(O)(c1ccccn1)c1cccc(C(F)(F)F)n1.CC(C)C(O)(c1ccccc1)c1ccccn1.CCC(=O)C(O)(c1ccccn1)C(C)(C)C.CC[C@H](O)C(O)(c1ccccn1)C(C)C.COc1cccc(C(O)(c2ccccn2)C(C)(C)C)c1.Cc1cccc(C(O)(c2ccccn2)C(C)C)n1
• InChI: InChI=1S/C17H21NO2.C16H17F3N2O.C15H18N2O.C15H17NO.C13H19NO2.C12H19NO2/c1-16(2,3)17(19,15-10-5-6-11-18-15)13-8-7-9-14(12-13)20-4;1-14(2,3)15(22,11-7-4-5-10-20-11)12-8-6-9-13(21-12)16(17,18)19;1-11(2)15(18,13-8-4-5-10-16-13)14-9-6-7-12(3)17-14;1-12(2)15(17,13-8-4-3-5-9-13)14-10-6-7-11-16-14;1-5-11(15)13(16,12(2,3)4)10-8-6-7-9-14-10;1-4-11(14)12(15,9(2)3)10-7-5-6-8-13-10/h5-12,19H,1-4H3;4-10,22H,1-3H3;4-11,18H,1-3H3;3-12,17H,1-2H3;6-9,16H,5H2,1-4H3;5-9,11,14-15H,4H2,1-3H3/t;;;;;11-,12?/m.....0/s1
• InChIKey: SHEYYVRUTABRFD-ITUANUIWSA-N
• XLogP: 16.79
• TPSA: 271.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1481.90
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol?

The IUPAC name of 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol (CID 160834262) is 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol.

What is the SMILES notation for 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol?

The canonical SMILES for 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol is CC(C)(C)C(O)(c1ccccn1)c1cccc(C(F)(F)F)n1.CC(C)C(O)(c1ccccc1)c1ccccn1.CCC(=O)C(O)(c1ccccn1)C(C)(C)C.CC[C@H](O)C(O)(c1ccccn1)C(C)C.COc1cccc(C(O)(c2ccccn2)C(C)(C)C)c1.Cc1cccc(C(O)(c2ccccn2)C(C)C)n1.

What is the InChIKey of 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol?

The InChIKey is SHEYYVRUTABRFD-ITUANUIWSA-N. The full InChI is InChI=1S/C17H21NO2.C16H17F3N2O.C15H18N2O.C15H17NO.C13H19NO2.C12H19NO2/c1-16(2,3)17(19,15-10-5-6-11-18-15)13-8-7-9-14(12-13)20-4;1-14(2,3)15(22,11-7-4-5-10-20-11)12-8-6-9-13(21-12)16(17,18)19;1-11(2)15(18,13-8-4-5-10-16-13)14-9-6-7-12(3)17-14;1-12(2)15(17,13-8-4-3-5-9-13)14-10-6-7-11-16-14;1-5-11(15)13(16,12(2,3)4)10-8-6-7-9-14-10;1-4-11(14)12(15,9(2)3)10-7-5-6-8-13-10/h5-12,19H,1-4H3;4-10,22H,1-3H3;4-11,18H,1-3H3;3-12,17H,1-2H3;6-9,16H,5H2,1-4H3;5-9,11,14-15H,4H2,1-3H3/t;;;;;11-,12?/m.....0/s1.

What are the key properties of 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol?

2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol has a molecular weight of 1481.90 g/mol, XLogP of 16.79, 18 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol;4-hydroxy-5,5-dimethyl-4-pyridin-2-ylhexan-3-one;1-(3-methoxyphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-pyridin-2-ylpropan-1-ol;2-methyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;(4S)-2-methyl-3-pyridin-2-ylhexane-3,4-diol is sourced from PubChem (CID 160834262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).