(2-ethenyl-3-pyridinyl) acetate

C9H9NO2 — CID 45090995

IUPAC(2-ethenyl-3-pyridinyl) acetate
SMILESC=Cc1ncccc1OC(C)=O
InChIInChI=1S/C9H9NO2/c1-3-8-9(12-7(2)11)5-4-6-10-8/h3-6H,1H2,2H3
InChIKeyGVAHKDLRAUVDIR-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.65
Rot. Bonds2

About (2-ethenyl-3-pyridinyl) acetate

(2-ethenyl-3-pyridinyl) acetate (PubChem CID 45090995) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (2-ethenyl-3-pyridinyl) acetate.

Molecular Properties

Compound Name(2-ethenyl-3-pyridinyl) acetate
PubChem CID45090995
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(2-ethenyl-3-pyridinyl) acetate
SMILESC=Cc1ncccc1OC(C)=O
InChIInChI=1S/C9H9NO2/c1-3-8-9(12-7(2)11)5-4-6-10-8/h3-6H,1H2,2H3
InChIKeyGVAHKDLRAUVDIR-UHFFFAOYSA-N
XLogP1.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-3-pyridinyl) acetate?
The IUPAC name of (2-ethenyl-3-pyridinyl) acetate (CID 45090995) is (2-ethenyl-3-pyridinyl) acetate.
What is the SMILES notation for (2-ethenyl-3-pyridinyl) acetate?
The canonical SMILES for (2-ethenyl-3-pyridinyl) acetate is C=Cc1ncccc1OC(C)=O.
What is the InChIKey of (2-ethenyl-3-pyridinyl) acetate?
The InChIKey is GVAHKDLRAUVDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-3-8-9(12-7(2)11)5-4-6-10-8/h3-6H,1H2,2H3.
What are the key properties of (2-ethenyl-3-pyridinyl) acetate?
(2-ethenyl-3-pyridinyl) acetate has a molecular weight of 163.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-3-pyridinyl) acetate is sourced from PubChem (CID 45090995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).