(6-ethenyl-3-pyridinyl) acetate

C9H9NO2 — CID 74788312

IUPAC(6-ethenyl-3-pyridinyl) acetate
SMILESC=Cc1ccc(OC(C)=O)cn1
InChIInChI=1S/C9H9NO2/c1-3-8-4-5-9(6-10-8)12-7(2)11/h3-6H,1H2,2H3
InChIKeyZPLDOCYLOWYYHQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.65
Rot. Bonds2

About (6-ethenyl-3-pyridinyl) acetate

(6-ethenyl-3-pyridinyl) acetate (PubChem CID 74788312) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (6-ethenyl-3-pyridinyl) acetate.

Molecular Properties

Compound Name(6-ethenyl-3-pyridinyl) acetate
PubChem CID74788312
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(6-ethenyl-3-pyridinyl) acetate
SMILESC=Cc1ccc(OC(C)=O)cn1
InChIInChI=1S/C9H9NO2/c1-3-8-4-5-9(6-10-8)12-7(2)11/h3-6H,1H2,2H3
InChIKeyZPLDOCYLOWYYHQ-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 (6-ethenyl-3-pyridinyl) acetate?
The IUPAC name of (6-ethenyl-3-pyridinyl) acetate (CID 74788312) is (6-ethenyl-3-pyridinyl) acetate.
What is the SMILES notation for (6-ethenyl-3-pyridinyl) acetate?
The canonical SMILES for (6-ethenyl-3-pyridinyl) acetate is C=Cc1ccc(OC(C)=O)cn1.
What is the InChIKey of (6-ethenyl-3-pyridinyl) acetate?
The InChIKey is ZPLDOCYLOWYYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-3-8-4-5-9(6-10-8)12-7(2)11/h3-6H,1H2,2H3.
What are the key properties of (6-ethenyl-3-pyridinyl) acetate?
(6-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 (6-ethenyl-3-pyridinyl) acetate is sourced from PubChem (CID 74788312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).