[3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate

C13H17NO5 — CID 122642714

IUPAC[3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate
SMILESCOCc1cnc(C)c(OC(C)=O)c1COC(C)=O
InChIInChI=1S/C13H17NO5/c1-8-13(19-10(3)16)12(7-18-9(2)15)11(5-14-8)6-17-4/h5H,6-7H2,1-4H3
InChIKeyUYKQECNYQGTMLN-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.52
Rot. Bonds5

About [3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate

[3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate (PubChem CID 122642714) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is [3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate
PubChem CID122642714
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name[3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate
SMILESCOCc1cnc(C)c(OC(C)=O)c1COC(C)=O
InChIInChI=1S/C13H17NO5/c1-8-13(19-10(3)16)12(7-18-9(2)15)11(5-14-8)6-17-4/h5H,6-7H2,1-4H3
InChIKeyUYKQECNYQGTMLN-UHFFFAOYSA-N
XLogP1.52
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate?
The IUPAC name of [3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate (CID 122642714) is [3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate.
What is the SMILES notation for [3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate?
The canonical SMILES for [3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate is COCc1cnc(C)c(OC(C)=O)c1COC(C)=O.
What is the InChIKey of [3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate?
The InChIKey is UYKQECNYQGTMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-13(19-10(3)16)12(7-18-9(2)15)11(5-14-8)6-17-4/h5H,6-7H2,1-4H3.
What are the key properties of [3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate?
[3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate has a molecular weight of 267.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate is sourced from PubChem (CID 122642714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).