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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane

C95H114Cl6F5I3N8O15S2 — CID 157392955

IUPAC2-(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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane
SMILESC.C.C.C.C.C.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(O)c(-c2ccc(F)c(Cl)c2)n1.CC(O)c1ccc(O)c(Cl)n1
InChIInChI=1S/C20H23ClFIN2O3S.C20H24ClFN2O3S.C16H14ClFINO3.C13H10ClFINO2.C13H11ClFNO2.C7H8ClNO2.6CH4/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;1-6(18)11-5-10(16)13(19)12(17-11)7-2-3-9(15)8(14)4-7;1-7(17)11-4-5-12(18)13(16-11)8-2-3-10(15)9(14)6-8;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;2-6,18-19H,1H3;2-7,17-18H,1H3;2-4,10-11H,1H3;6*1H4
InChIKeyBMFNOZLWIAYAHL-UHFFFAOYSA-N
MW2360.55 g/mol
LogP26.44
Rot. Bonds20

About 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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane

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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane (PubChem CID 157392955) has the molecular formula C95H114Cl6F5I3N8O15S2 and a molecular weight of 2360.55 g/mol. Its IUPAC name is 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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane.

Molecular Properties

Compound Name2-(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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane
PubChem CID157392955
Molecular FormulaC95H114Cl6F5I3N8O15S2
Molecular Weight2360.55 g/mol
Exact Mass2356.30
IUPAC Name2-(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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane
SMILESC.C.C.C.C.C.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(O)c(-c2ccc(F)c(Cl)c2)n1.CC(O)c1ccc(O)c(Cl)n1
InChIInChI=1S/C20H23ClFIN2O3S.C20H24ClFN2O3S.C16H14ClFINO3.C13H10ClFINO2.C13H11ClFNO2.C7H8ClNO2.6CH4/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;1-6(18)11-5-10(16)13(19)12(17-11)7-2-3-9(15)8(14)4-7;1-7(17)11-4-5-12(18)13(16-11)8-2-3-10(15)9(14)6-8;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;2-6,18-19H,1H3;2-7,17-18H,1H3;2-4,10-11H,1H3;6*1H4
InChIKeyBMFNOZLWIAYAHL-UHFFFAOYSA-N
XLogP26.44
TPSA362.70 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002360.55
LogP ≤ 526.44
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

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 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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane?
The IUPAC name of 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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane (CID 157392955) is 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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane.
What is the SMILES notation for 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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane?
The canonical SMILES for 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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane is C.C.C.C.C.C.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(O)c(-c2ccc(F)c(Cl)c2)n1.CC(O)c1ccc(O)c(Cl)n1.
What is the InChIKey of 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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane?
The InChIKey is BMFNOZLWIAYAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFIN2O3S.C20H24ClFN2O3S.C16H14ClFINO3.C13H10ClFINO2.C13H11ClFNO2.C7H8ClNO2.6CH4/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;1-6(18)11-5-10(16)13(19)12(17-11)7-2-3-9(15)8(14)4-7;1-7(17)11-4-5-12(18)13(16-11)8-2-3-10(15)9(14)6-8;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;2-6,18-19H,1H3;2-7,17-18H,1H3;2-4,10-11H,1H3;6*1H4.
What are the key properties of 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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane?
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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane has a molecular weight of 2360.55 g/mol, XLogP of 26.44, 20 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridin-3-ol;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;methane is sourced from PubChem (CID 157392955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).