(4-acetyloxy-2-pyridinyl)methyl acetate

C10H11NO4 — CID 14761431

IUPAC(4-acetyloxy-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1cc(OC(C)=O)ccn1
InChIInChI=1S/C10H11NO4/c1-7(12)14-6-9-5-10(3-4-11-9)15-8(2)13/h3-5H,6H2,1-2H3
InChIKeyPRGKFRCZAIJRGK-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.07
Rot. Bonds3

About (4-acetyloxy-2-pyridinyl)methyl acetate

(4-acetyloxy-2-pyridinyl)methyl acetate (PubChem CID 14761431) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (4-acetyloxy-2-pyridinyl)methyl acetate.

Molecular Properties

Compound Name(4-acetyloxy-2-pyridinyl)methyl acetate
PubChem CID14761431
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(4-acetyloxy-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1cc(OC(C)=O)ccn1
InChIInChI=1S/C10H11NO4/c1-7(12)14-6-9-5-10(3-4-11-9)15-8(2)13/h3-5H,6H2,1-2H3
InChIKeyPRGKFRCZAIJRGK-UHFFFAOYSA-N
XLogP1.07
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-2-pyridinyl)methyl acetate?
The IUPAC name of (4-acetyloxy-2-pyridinyl)methyl acetate (CID 14761431) is (4-acetyloxy-2-pyridinyl)methyl acetate.
What is the SMILES notation for (4-acetyloxy-2-pyridinyl)methyl acetate?
The canonical SMILES for (4-acetyloxy-2-pyridinyl)methyl acetate is CC(=O)OCc1cc(OC(C)=O)ccn1.
What is the InChIKey of (4-acetyloxy-2-pyridinyl)methyl acetate?
The InChIKey is PRGKFRCZAIJRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-7(12)14-6-9-5-10(3-4-11-9)15-8(2)13/h3-5H,6H2,1-2H3.
What are the key properties of (4-acetyloxy-2-pyridinyl)methyl acetate?
(4-acetyloxy-2-pyridinyl)methyl acetate has a molecular weight of 209.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-2-pyridinyl)methyl acetate is sourced from PubChem (CID 14761431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).