2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol

C81H68Cl7F3N8O16 — CID 161394432

IUPAC2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol
SMILESC=CCOc1c(C=C)cc(CO)nc1Cl.C=Cc1cc(CO)nc(Cl)c1O.Cc1cc(CO)nc(Cl)c1O.O=Cc1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC=C2.O=[N+]([O-])CC(O)c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC=C2.OCc1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC=C2.OCc1cc2c(c(Cl)n1)OCC=C2
InChIInChI=1S/C16H12ClFN2O4.C15H11ClFNO2.C15H9ClFNO2.C11H12ClNO2.C9H8ClNO2.C8H8ClNO2.C7H8ClNO2/c17-11-6-9(3-4-12(11)18)15-16-10(2-1-5-24-16)7-13(19-15)14(21)8-20(22)23;2*16-12-7-9(3-4-13(12)17)14-15-10(2-1-5-20-15)6-11(8-19)18-14;1-3-5-15-10-8(4-2)6-9(7-14)13-11(10)12;10-9-8-6(2-1-3-13-8)4-7(5-12)11-9;1-2-5-3-6(4-11)10-8(9)7(5)12;1-4-2-5(3-10)9-7(8)6(4)11/h1-4,6-7,14,21H,5,8H2;1-4,6-7,19H,5,8H2;1-4,6-8H,5H2;3-4,6,14H,1-2,5,7H2;1-2,4,12H,3,5H2;2-3,11-12H,1,4H2;2,10-11H,3H2,1H3
InChIKeyVTKIDPVFMYIAIE-UHFFFAOYSA-N
MW1714.64 g/mol
LogP17.34
Rot. Bonds17

About 2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol

2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol (PubChem CID 161394432) has the molecular formula C81H68Cl7F3N8O16 and a molecular weight of 1714.64 g/mol. Its IUPAC name is 2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol.

Molecular Properties

Compound Name2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol
PubChem CID161394432
Molecular FormulaC81H68Cl7F3N8O16
Molecular Weight1714.64 g/mol
Exact Mass1710.25
IUPAC Name2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol
SMILESC=CCOc1c(C=C)cc(CO)nc1Cl.C=Cc1cc(CO)nc(Cl)c1O.Cc1cc(CO)nc(Cl)c1O.O=Cc1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC=C2.O=[N+]([O-])CC(O)c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC=C2.OCc1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC=C2.OCc1cc2c(c(Cl)n1)OCC=C2
InChIInChI=1S/C16H12ClFN2O4.C15H11ClFNO2.C15H9ClFNO2.C11H12ClNO2.C9H8ClNO2.C8H8ClNO2.C7H8ClNO2/c17-11-6-9(3-4-12(11)18)15-16-10(2-1-5-24-16)7-13(19-15)14(21)8-20(22)23;2*16-12-7-9(3-4-13(12)17)14-15-10(2-1-5-20-15)6-11(8-19)18-14;1-3-5-15-10-8(4-2)6-9(7-14)13-11(10)12;10-9-8-6(2-1-3-13-8)4-7(5-12)11-9;1-2-5-3-6(4-11)10-8(9)7(5)12;1-4-2-5(3-10)9-7(8)6(4)11/h1-4,6-7,14,21H,5,8H2;1-4,6-7,19H,5,8H2;1-4,6-8H,5H2;3-4,6,14H,1-2,5,7H2;1-2,4,12H,3,5H2;2-3,11-12H,1,4H2;2,10-11H,3H2,1H3
InChIKeyVTKIDPVFMYIAIE-UHFFFAOYSA-N
XLogP17.34
TPSA358.43 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001714.64
LogP ≤ 517.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol?
The IUPAC name of 2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol (CID 161394432) is 2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol.
What is the SMILES notation for 2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol?
The canonical SMILES for 2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol is C=CCOc1c(C=C)cc(CO)nc1Cl.C=Cc1cc(CO)nc(Cl)c1O.Cc1cc(CO)nc(Cl)c1O.O=Cc1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC=C2.O=[N+]([O-])CC(O)c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC=C2.OCc1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC=C2.OCc1cc2c(c(Cl)n1)OCC=C2.
What is the InChIKey of 2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol?
The InChIKey is VTKIDPVFMYIAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O4.C15H11ClFNO2.C15H9ClFNO2.C11H12ClNO2.C9H8ClNO2.C8H8ClNO2.C7H8ClNO2/c17-11-6-9(3-4-12(11)18)15-16-10(2-1-5-24-16)7-13(19-15)14(21)8-20(22)23;2*16-12-7-9(3-4-13(12)17)14-15-10(2-1-5-20-15)6-11(8-19)18-14;1-3-5-15-10-8(4-2)6-9(7-14)13-11(10)12;10-9-8-6(2-1-3-13-8)4-7(5-12)11-9;1-2-5-3-6(4-11)10-8(9)7(5)12;1-4-2-5(3-10)9-7(8)6(4)11/h1-4,6-7,14,21H,5,8H2;1-4,6-7,19H,5,8H2;1-4,6-8H,5H2;3-4,6,14H,1-2,5,7H2;1-2,4,12H,3,5H2;2-3,11-12H,1,4H2;2,10-11H,3H2,1H3.
What are the key properties of 2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol?
2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol has a molecular weight of 1714.64 g/mol, XLogP of 17.34, 17 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethenyl-6-(hydroxymethyl)pyridin-3-ol;(6-chloro-4-ethenyl-5-prop-2-enoxy-2-pyridinyl)methanol;8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridine-6-carbaldehyde;[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]methanol;1-[8-(3-chloro-4-fluorophenyl)-2H-pyrano[2,3-c]pyridin-6-yl]-2-nitroethanol;2-chloro-6-(hydroxymethyl)-4-methylpyridin-3-ol;(8-chloro-2H-pyrano[2,3-c]pyridin-6-yl)methanol is sourced from PubChem (CID 161394432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).