pyridin-2-yl acetate

C7H7NO2 — CID 11400803

IUPACpyridin-2-yl acetate
SMILESCC(=O)Oc1ccccn1
InChIInChI=1S/C7H7NO2/c1-6(9)10-7-4-2-3-5-8-7/h2-5H,1H3
InChIKeyAEMXNRIHRLEYAK-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.01
Rot. Bonds1

About pyridin-2-yl acetate

pyridin-2-yl acetate (PubChem CID 11400803) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is pyridin-2-yl acetate.

Molecular Properties

Compound Namepyridin-2-yl acetate
PubChem CID11400803
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Namepyridin-2-yl acetate
SMILESCC(=O)Oc1ccccn1
InChIInChI=1S/C7H7NO2/c1-6(9)10-7-4-2-3-5-8-7/h2-5H,1H3
InChIKeyAEMXNRIHRLEYAK-UHFFFAOYSA-N
XLogP1.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyridin-2-yl 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 pyridin-2-yl acetate?
The IUPAC name of pyridin-2-yl acetate (CID 11400803) is pyridin-2-yl acetate.
What is the SMILES notation for pyridin-2-yl acetate?
The canonical SMILES for pyridin-2-yl acetate is CC(=O)Oc1ccccn1.
What is the InChIKey of pyridin-2-yl acetate?
The InChIKey is AEMXNRIHRLEYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-6(9)10-7-4-2-3-5-8-7/h2-5H,1H3.
What are the key properties of pyridin-2-yl acetate?
pyridin-2-yl acetate has a molecular weight of 137.14 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl acetate is sourced from PubChem (CID 11400803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).