[5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate

C20H24FNO6 — CID 67832821

IUPAC[5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(C)N(C)C(C)=C(OC(=O)OCC)C1c1ccc(F)cc1
InChIInChI=1S/C20H24FNO6/c1-6-25-19(23)27-17-12(3)22(5)13(4)18(28-20(24)26-7-2)16(17)14-8-10-15(21)11-9-14/h8-11,16H,6-7H2,1-5H3
InChIKeyKWRUJOQZMUYCTG-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.66
Rot. Bonds5

About [5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate

[5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate (PubChem CID 67832821) has the molecular formula C20H24FNO6 and a molecular weight of 393.41 g/mol. Its IUPAC name is [5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate.

Molecular Properties

Compound Name[5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate
PubChem CID67832821
Molecular FormulaC20H24FNO6
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name[5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(C)N(C)C(C)=C(OC(=O)OCC)C1c1ccc(F)cc1
InChIInChI=1S/C20H24FNO6/c1-6-25-19(23)27-17-12(3)22(5)13(4)18(28-20(24)26-7-2)16(17)14-8-10-15(21)11-9-14/h8-11,16H,6-7H2,1-5H3
InChIKeyKWRUJOQZMUYCTG-UHFFFAOYSA-N
XLogP4.66
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate?
The IUPAC name of [5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate (CID 67832821) is [5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate.
What is the SMILES notation for [5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate?
The canonical SMILES for [5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate is CCOC(=O)OC1=C(C)N(C)C(C)=C(OC(=O)OCC)C1c1ccc(F)cc1.
What is the InChIKey of [5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate?
The InChIKey is KWRUJOQZMUYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO6/c1-6-25-19(23)27-17-12(3)22(5)13(4)18(28-20(24)26-7-2)16(17)14-8-10-15(21)11-9-14/h8-11,16H,6-7H2,1-5H3.
What are the key properties of [5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate?
[5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate has a molecular weight of 393.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethoxycarbonyloxy-4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate is sourced from PubChem (CID 67832821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).