[3-(2-phenylethenyl)-2-pyridinyl] acetate

C15H13NO2 — CID 175048003

IUPAC[3-(2-phenylethenyl)-2-pyridinyl] acetate
SMILESCC(=O)Oc1ncccc1C=Cc1ccccc1
InChIInChI=1S/C15H13NO2/c1-12(17)18-15-14(8-5-11-16-15)10-9-13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyWASPFSTUKFHFFE-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.18
Rot. Bonds3

About [3-(2-phenylethenyl)-2-pyridinyl] acetate

[3-(2-phenylethenyl)-2-pyridinyl] acetate (PubChem CID 175048003) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is [3-(2-phenylethenyl)-2-pyridinyl] acetate.

Molecular Properties

Compound Name[3-(2-phenylethenyl)-2-pyridinyl] acetate
PubChem CID175048003
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name[3-(2-phenylethenyl)-2-pyridinyl] acetate
SMILESCC(=O)Oc1ncccc1C=Cc1ccccc1
InChIInChI=1S/C15H13NO2/c1-12(17)18-15-14(8-5-11-16-15)10-9-13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyWASPFSTUKFHFFE-UHFFFAOYSA-N
XLogP3.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid
CID 23061534
(3-fluoro-2-pyridinyl) acetate
CID 15091012
acetic acid;stilbene
CID 172803728
[4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
CID 5364272
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
[4-[2-(2-nitrophenyl)ethenyl]phenyl] acetate
CID 66627035
2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde
CID 10847584
4-(2-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483350
(NE)-N-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]methylidene]hydroxylamine
CID 162652329
ethyl acetate;stilbene
CID 159556390
2-[2-(2-phenylethenyl)phenyl]pyrimidine
CID 141475746
tris(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734955

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenylethenyl)-2-pyridinyl] acetate?
The IUPAC name of [3-(2-phenylethenyl)-2-pyridinyl] acetate (CID 175048003) is [3-(2-phenylethenyl)-2-pyridinyl] acetate.
What is the SMILES notation for [3-(2-phenylethenyl)-2-pyridinyl] acetate?
The canonical SMILES for [3-(2-phenylethenyl)-2-pyridinyl] acetate is CC(=O)Oc1ncccc1C=Cc1ccccc1.
What is the InChIKey of [3-(2-phenylethenyl)-2-pyridinyl] acetate?
The InChIKey is WASPFSTUKFHFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-12(17)18-15-14(8-5-11-16-15)10-9-13-6-3-2-4-7-13/h2-11H,1H3.
What are the key properties of [3-(2-phenylethenyl)-2-pyridinyl] acetate?
[3-(2-phenylethenyl)-2-pyridinyl] acetate has a molecular weight of 239.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenylethenyl)-2-pyridinyl] acetate is sourced from PubChem (CID 175048003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).