1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol

C89H89Cl7F5I3N8O14S2 — CID 162262536

IUPAC1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol
SMILESCC(=O)COc1c(I)cc(C(C)O)nc1-c1ccc(F)c(Cl)c1.CC(COc1c(I)cc(C(C)O)nc1-c1ccc(F)c(Cl)c1)=NS(=O)C(C)(C)C.CC(O)c1cc(I)c(O)c(-c2ccc(F)c(Cl)c2)n1.CC(O)c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC2(C)NS(=O)C(C)(C)C.CC(O)c1ccc(Cl)c(-c2ccc(F)c(Cl)c2)n1.CC(O)c1ccc(O)c(Cl)n1
InChIInChI=1S/C20H23ClFIN2O3S.C20H24ClFN2O3S.C16H14ClFINO3.C13H10Cl2FNO.C13H10ClFINO2.C7H8ClNO2/c1-11(25-29(27)20(3,4)5)10-28-19-16(23)9-17(12(2)26)24-18(19)13-6-7-15(22)14(21)8-13;1-11(25)16-9-13-18(17(23-16)12-6-7-15(22)14(21)8-12)27-10-20(13,5)24-28(26)19(2,3)4;1-8(21)7-23-16-13(19)6-14(9(2)22)20-15(16)10-3-4-12(18)11(17)5-10;1-7(18)12-5-3-9(14)13(17-12)8-2-4-11(16)10(15)6-8;1-6(18)11-5-10(16)13(19)12(17-11)7-2-3-9(15)8(14)4-7;1-4(10)5-2-3-6(11)7(8)9-5/h6-9,12,26H,10H2,1-5H3;6-9,11,24-25H,10H2,1-5H3;3-6,9,22H,7H2,1-2H3;2-7,18H,1H3;2-6,18-19H,1H3;2-4,10-11H,1H3
InChIKeyZZLGVCXTZNWPRG-UHFFFAOYSA-N
MW2282.74 g/mol
LogP23.57
Rot. Bonds20

About 1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol

1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol (PubChem CID 162262536) has the molecular formula C89H89Cl7F5I3N8O14S2 and a molecular weight of 2282.74 g/mol. Its IUPAC name is 1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol.

Molecular Properties

Compound Name1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol
PubChem CID162262536
Molecular FormulaC89H89Cl7F5I3N8O14S2
Molecular Weight2282.74 g/mol
Exact Mass2278.08
IUPAC Name1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol
SMILESCC(=O)COc1c(I)cc(C(C)O)nc1-c1ccc(F)c(Cl)c1.CC(COc1c(I)cc(C(C)O)nc1-c1ccc(F)c(Cl)c1)=NS(=O)C(C)(C)C.CC(O)c1cc(I)c(O)c(-c2ccc(F)c(Cl)c2)n1.CC(O)c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC2(C)NS(=O)C(C)(C)C.CC(O)c1ccc(Cl)c(-c2ccc(F)c(Cl)c2)n1.CC(O)c1ccc(O)c(Cl)n1
InChIInChI=1S/C20H23ClFIN2O3S.C20H24ClFN2O3S.C16H14ClFINO3.C13H10Cl2FNO.C13H10ClFINO2.C7H8ClNO2/c1-11(25-29(27)20(3,4)5)10-28-19-16(23)9-17(12(2)26)24-18(19)13-6-7-15(22)14(21)8-13;1-11(25)16-9-13-18(17(23-16)12-6-7-15(22)14(21)8-12)27-10-20(13,5)24-28(26)19(2,3)4;1-8(21)7-23-16-13(19)6-14(9(2)22)20-15(16)10-3-4-12(18)11(17)5-10;1-7(18)12-5-3-9(14)13(17-12)8-2-4-11(16)10(15)6-8;1-6(18)11-5-10(16)13(19)12(17-11)7-2-3-9(15)8(14)4-7;1-4(10)5-2-3-6(11)7(8)9-5/h6-9,12,26H,10H2,1-5H3;6-9,11,24-25H,10H2,1-5H3;3-6,9,22H,7H2,1-2H3;2-7,18H,1H3;2-6,18-19H,1H3;2-4,10-11H,1H3
InChIKeyZZLGVCXTZNWPRG-UHFFFAOYSA-N
XLogP23.57
TPSA342.47 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002282.74
LogP ≤ 523.57
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol?
The IUPAC name of 1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol (CID 162262536) is 1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol.
What is the SMILES notation for 1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol?
The canonical SMILES for 1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol is CC(=O)COc1c(I)cc(C(C)O)nc1-c1ccc(F)c(Cl)c1.CC(COc1c(I)cc(C(C)O)nc1-c1ccc(F)c(Cl)c1)=NS(=O)C(C)(C)C.CC(O)c1cc(I)c(O)c(-c2ccc(F)c(Cl)c2)n1.CC(O)c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC2(C)NS(=O)C(C)(C)C.CC(O)c1ccc(Cl)c(-c2ccc(F)c(Cl)c2)n1.CC(O)c1ccc(O)c(Cl)n1.
What is the InChIKey of 1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol?
The InChIKey is ZZLGVCXTZNWPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFIN2O3S.C20H24ClFN2O3S.C16H14ClFINO3.C13H10Cl2FNO.C13H10ClFINO2.C7H8ClNO2/c1-11(25-29(27)20(3,4)5)10-28-19-16(23)9-17(12(2)26)24-18(19)13-6-7-15(22)14(21)8-13;1-11(25)16-9-13-18(17(23-16)12-6-7-15(22)14(21)8-12)27-10-20(13,5)24-28(26)19(2,3)4;1-8(21)7-23-16-13(19)6-14(9(2)22)20-15(16)10-3-4-12(18)11(17)5-10;1-7(18)12-5-3-9(14)13(17-12)8-2-4-11(16)10(15)6-8;1-6(18)11-5-10(16)13(19)12(17-11)7-2-3-9(15)8(14)4-7;1-4(10)5-2-3-6(11)7(8)9-5/h6-9,12,26H,10H2,1-5H3;6-9,11,24-25H,10H2,1-5H3;3-6,9,22H,7H2,1-2H3;2-7,18H,1H3;2-6,18-19H,1H3;2-4,10-11H,1H3.
What are the key properties of 1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol?
1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol has a molecular weight of 2282.74 g/mol, XLogP of 23.57, 20 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanol;2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-(3-chloro-4-fluorophenyl)-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol is sourced from PubChem (CID 162262536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).