chempirical

3-(2-Pyridinyl)-2-propenoic acid

C8H7NO2CAS 7340-22-9149.15 g/mol

Open in Covalent MOL file
OHON
AlkeneCarboxylic acid

Properties

Molecular formula
C8H7NO2
Molar mass
149.15 g/mol
Exact mass
149.0477 Da
Melting point
194–197 °C (decomposes)
logP
1.18Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
7340-22-9
SMILES
O=C(O)C=Cc1ccccn1
InChIKey
LKDFTXDJKHGCAC-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)

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Names and synonyms

6 names
  • 2-Propenoic acid, 3-(2-pyridinyl)-
  • 2-Pyridineacrylic acid
  • 3-(2-Pyridyl)-2-propenoic acid
  • NSC 63239
  • 3-(2-Pyridyl)acrylic acid
  • 3-(Pyridin-2-yl)acrylic acid

Work with 3-(2-Pyridinyl)-2-propenoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-(1,2-Ethenediyl)bis[pyridine]1437-15-655 % similar Cinnamic acid140-10-355 % similar Cinnamic acid621-82-955 % similar 3-(4-Pyridinyl)-2-propenoic acid5337-79-151 % similar P-Phenylenediacrylic acid16323-43-650 % similar 2-Formylcinnamic acid130036-17-849 % similar 3-[1,1′-Biphenyl]-4-yl-2-propenoic acid13026-23-849 % similar O-Coumaric acid583-17-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitrostyrene100-13-0 β-Nitrostyrene102-96-5 3-(3-Pyridinyl)-2-propenoic acid1126-74-5 3-Methoxyphenyl isocyanate18908-07-1 trans-3-(3-Pyridyl)acrylic acid19337-97-4 3-Methylbenzo[D]oxazol-2(3H)-one21892-80-8 5,6-Dihydroxyindole3131-52-0 5-Hydroxyoxindole3416-18-0

Elsewhere

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