[4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate

C12H15NO5 — CID 15838503

IUPAC[4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cnc(C)c(O)c1COC(C)=O
InChIInChI=1S/C12H15NO5/c1-7-12(16)11(6-18-9(3)15)10(4-13-7)5-17-8(2)14/h4,16H,5-6H2,1-3H3
InChIKeyIRWPWCJSDJOZPM-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.22
Rot. Bonds4

About [4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate

[4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate (PubChem CID 15838503) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is [4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate
PubChem CID15838503
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name[4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cnc(C)c(O)c1COC(C)=O
InChIInChI=1S/C12H15NO5/c1-7-12(16)11(6-18-9(3)15)10(4-13-7)5-17-8(2)14/h4,16H,5-6H2,1-3H3
InChIKeyIRWPWCJSDJOZPM-UHFFFAOYSA-N
XLogP1.22
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate?
The IUPAC name of [4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate (CID 15838503) is [4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate.
What is the SMILES notation for [4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate?
The canonical SMILES for [4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate is CC(=O)OCc1cnc(C)c(O)c1COC(C)=O.
What is the InChIKey of [4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate?
The InChIKey is IRWPWCJSDJOZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7-12(16)11(6-18-9(3)15)10(4-13-7)5-17-8(2)14/h4,16H,5-6H2,1-3H3.
What are the key properties of [4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate?
[4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate has a molecular weight of 253.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl acetate is sourced from PubChem (CID 15838503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).