[5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate

C13H17NO7 — CID 22363172

IUPAC[5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1cnc(OC(=O)OC)c(OCC(C)C)c1
InChIInChI=1S/C13H17NO7/c1-8(2)7-19-10-5-9(20-12(15)17-3)6-14-11(10)21-13(16)18-4/h5-6,8H,7H2,1-4H3
InChIKeyIRRFNKIZVWSMFZ-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.41
Rot. Bonds5

About [5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate

[5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate (PubChem CID 22363172) has the molecular formula C13H17NO7 and a molecular weight of 299.28 g/mol. Its IUPAC name is [5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate.

Molecular Properties

Compound Name[5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate
PubChem CID22363172
Molecular FormulaC13H17NO7
Molecular Weight299.28 g/mol
Exact Mass299.10
IUPAC Name[5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1cnc(OC(=O)OC)c(OCC(C)C)c1
InChIInChI=1S/C13H17NO7/c1-8(2)7-19-10-5-9(20-12(15)17-3)6-14-11(10)21-13(16)18-4/h5-6,8H,7H2,1-4H3
InChIKeyIRRFNKIZVWSMFZ-UHFFFAOYSA-N
XLogP2.41
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate?
The IUPAC name of [5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate (CID 22363172) is [5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate.
What is the SMILES notation for [5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate?
The canonical SMILES for [5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate is COC(=O)Oc1cnc(OC(=O)OC)c(OCC(C)C)c1.
What is the InChIKey of [5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate?
The InChIKey is IRRFNKIZVWSMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO7/c1-8(2)7-19-10-5-9(20-12(15)17-3)6-14-11(10)21-13(16)18-4/h5-6,8H,7H2,1-4H3.
What are the key properties of [5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate?
[5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate has a molecular weight of 299.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxycarbonyloxy-3-(2-methylpropoxy)-2-pyridinyl] methyl carbonate is sourced from PubChem (CID 22363172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).