1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol

C101H152ClF4N9O11 — CID 160997720

About 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol

1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol (PubChem CID 160997720) has the molecular formula C101H152ClF4N9O11 and a molecular weight of 1779.82 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol.

Molecular Properties

• Compound Name: 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol
• PubChem CID: 160997720
• Molecular Formula: C101H152ClF4N9O11
• Molecular Weight: 1779.82 g/mol
• Exact Mass: 1778.12
• IUPAC Name: 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol
• SMILES: CC.CC.CC(C)(C)C(O)(c1ccccn1)c1cccc(Cl)n1.CC(C)C(O)(C(C)C)C(C)C.CC(C)C(O)(c1ccccn1)C(C)(C)C.CC(F)(F)CC[C@@H](O)[C@@](C)(O)c1ccccn1.CC(F)(F)CC[C@H](O)[C@@](C)(O)c1ccccn1.CCc1cccc(C(O)(c2ccccn2)C(C)(C)C)n1.COCCOc1cccc(C(O)(c2ccccn2)C(C)(C)C)n1
• InChI: InChI=1S/C18H24N2O3.C17H22N2O.C15H17ClN2O.C13H21NO.2C12H17F2NO2.C10H22O.2C2H6/c1-17(2,3)18(21,14-8-5-6-11-19-14)15-9-7-10-16(20-15)23-13-12-22-4;1-5-13-9-8-11-15(19-13)17(20,16(2,3)4)14-10-6-7-12-18-14;1-14(2,3)15(19,11-7-4-5-10-17-11)12-8-6-9-13(16)18-12;1-10(2)13(15,12(3,4)5)11-8-6-7-9-14-11;2*1-11(13,14)7-6-10(16)12(2,17)9-5-3-4-8-15-9;1-7(2)10(11,8(3)4)9(5)6;2*1-2/h5-11,21H,12-13H2,1-4H3;6-12,20H,5H2,1-4H3;4-10,19H,1-3H3;6-10,15H,1-5H3;2*3-5,8,10,16-17H,6-7H2,1-2H3;7-9,11H,1-6H3;2*1-2H3/t;;;;10-,12+;10-,12-;;;/m....10.../s1
• InChIKey: TVLUBCJRDVOFEZ-JVVYPTIQSA-N
• XLogP: 21.40
• TPSA: 316.54 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1779.82
LogP ≤ 5	21.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol?

The IUPAC name of 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol (CID 160997720) is 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol.

What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol?

The canonical SMILES for 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol is CC.CC.CC(C)(C)C(O)(c1ccccn1)c1cccc(Cl)n1.CC(C)C(O)(C(C)C)C(C)C.CC(C)C(O)(c1ccccn1)C(C)(C)C.CC(F)(F)CC[C@@H](O)[C@@](C)(O)c1ccccn1.CC(F)(F)CC[C@H](O)[C@@](C)(O)c1ccccn1.CCc1cccc(C(O)(c2ccccn2)C(C)(C)C)n1.COCCOc1cccc(C(O)(c2ccccn2)C(C)(C)C)n1.

What is the InChIKey of 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol?

The InChIKey is TVLUBCJRDVOFEZ-JVVYPTIQSA-N. The full InChI is InChI=1S/C18H24N2O3.C17H22N2O.C15H17ClN2O.C13H21NO.2C12H17F2NO2.C10H22O.2C2H6/c1-17(2,3)18(21,14-8-5-6-11-19-14)15-9-7-10-16(20-15)23-13-12-22-4;1-5-13-9-8-11-15(19-13)17(20,16(2,3)4)14-10-6-7-12-18-14;1-14(2,3)15(19,11-7-4-5-10-17-11)12-8-6-9-13(16)18-12;1-10(2)13(15,12(3,4)5)11-8-6-7-9-14-11;2*1-11(13,14)7-6-10(16)12(2,17)9-5-3-4-8-15-9;1-7(2)10(11,8(3)4)9(5)6;2*1-2/h5-11,21H,12-13H2,1-4H3;6-12,20H,5H2,1-4H3;4-10,19H,1-3H3;6-10,15H,1-5H3;2*3-5,8,10,16-17H,6-7H2,1-2H3;7-9,11H,1-6H3;2*1-2H3/t;;;;10-,12+;10-,12-;;;/m....10.../s1.

What are the key properties of 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol?

1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol has a molecular weight of 1779.82 g/mol, XLogP of 21.40, 26 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;(2S,3R)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol;2,4-dimethyl-3-propan-2-ylpentan-3-ol;ethane;1-(6-ethyl-2-pyridinyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-[6-(2-methoxyethoxy)-2-pyridinyl]-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2,4-trimethyl-3-pyridin-2-ylpentan-3-ol is sourced from PubChem (CID 160997720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).