chempirical

3-(4-Pyridinyl)-2-propenoic acid

C8H7NO2CAS 5337-79-1149.15 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
293–295 °C
logP
1.18Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
5337-79-1
SMILES
O=C(O)C=Cc1ccncc1
InChIKey
SSAYTINUCCRGDR-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2-Propenoic acid, 3-(4-pyridinyl)-
  • 4-Pyridineacrylic acid
  • 3-(4-Pyridyl)acrylic acid
  • 4-Pyridylacrylic acid
  • 3-(4-Pyridyl)-2-propenoic acid
  • 3-(Pyridin-4-yl)-2-propenoic acid
  • 3-(4-Pyridinyl)acrylic acid
  • NSC 830

Work with 3-(4-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

P-Phenylenediacrylic acid16323-43-673 % similar Cinnamic acid140-10-366 % similar Cinnamic acid621-82-966 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-261 % similar P-Coumaric acid501-98-461 % similar P-Coumaric acid7400-08-061 % similar 4-Bromocinnamic acid1200-07-359 % similar trans-4-Fluorocinnamic acid14290-86-959 % 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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