2-(2H-pyridin-1-yl)ethyl acetate

C9H13NO2 — CID 135263794

IUPAC2-(2H-pyridin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1C=CC=CC1
InChIInChI=1S/C9H13NO2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-5H,6-8H2,1H3
InChIKeyIXALTQDGTPARJV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.94
Rot. Bonds3

About 2-(2H-pyridin-1-yl)ethyl acetate

2-(2H-pyridin-1-yl)ethyl acetate (PubChem CID 135263794) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(2H-pyridin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2H-pyridin-1-yl)ethyl acetate
PubChem CID135263794
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-(2H-pyridin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1C=CC=CC1
InChIInChI=1S/C9H13NO2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-5H,6-8H2,1H3
InChIKeyIXALTQDGTPARJV-UHFFFAOYSA-N
XLogP0.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyridin-1-yl)ethyl acetate?
The IUPAC name of 2-(2H-pyridin-1-yl)ethyl acetate (CID 135263794) is 2-(2H-pyridin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(2H-pyridin-1-yl)ethyl acetate?
The canonical SMILES for 2-(2H-pyridin-1-yl)ethyl acetate is CC(=O)OCCN1C=CC=CC1.
What is the InChIKey of 2-(2H-pyridin-1-yl)ethyl acetate?
The InChIKey is IXALTQDGTPARJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-5H,6-8H2,1H3.
What are the key properties of 2-(2H-pyridin-1-yl)ethyl acetate?
2-(2H-pyridin-1-yl)ethyl acetate has a molecular weight of 167.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyridin-1-yl)ethyl acetate is sourced from PubChem (CID 135263794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).