Methyl 3-(pyridin-3-yl)acrylate

HCID 143845

Notes Reactions

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Basic information

Standard SMILES: COC(=O)C=Cc1cccnc1
InChIKey: APCQGKVIYRVRKN-UHFFFAOYSA-N
Molecular formula: C9H9NO2
Average molar mass: 163.17 g/mol

Names & identifiers

Preferred name: Methyl 3-(pyridin-3-yl)acrylate
IUPAC: methyl 3-pyridin-3-ylprop-2-enoate

Names & synonyms

Methyl 3-(pyridin-3-yl)acrylateSCHEMBL2184878SCHEMBL5516436APCQGKVIYRVRKN-UHFFFAOYSA-Nmethyl 3-(3-pyridyl)-2-propenoatemethyl 3-(3-pyridyl)prop-2-enoateAKOS017404942Methyl 3-(3-Pyridinyl)-2-propenoateSB529943-pyridin-3-yl-acrylic acid methyl ester

Database identifiers

PubChem CID: 143845

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 177

Related reactions

6 records

New reaction record

HRID 54997As productuspto-grants-1997_04

HRID 160713As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 175268As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 289383As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1203320As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1769144As productuspto-grants-1995_01

Compound notes

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