trans-3-(3-Pyridyl)acrylic acid

C₈H₇NO₂CAS 19337-97-4149.15 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₈H₇NO₂
Molar mass: 149.15 g/mol
Exact mass: 149.0477 Da
Melting point: 232–234 °C
logP: 1.18Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19337-97-4

SMILES

O=C(O)/C=C/c1cccnc1

InChIKey

VUVORVXMOLQFMO-ONEGZZNKSA-N

InChI

InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)/b4-3+

Weigh it out

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

Names and synonyms

16 names · show all

2-Propenoic acid, 3-(3-pyridinyl)-, (2E)-
3-Pyridineacrylic acid, (E)-
2-Propenoic acid, 3-(3-pyridinyl)-, (E)-
(2E)-3-(3-Pyridinyl)-2-propenoic acid
trans-3-Pyridineacrylic acid
(E)-3-Pyridineacrylic acid
trans-3-(3-Pyridyl)propenoic acid
trans-3-(3-Pyridinyl)acrylic acid
(2E)-3-(Pyridin-3-yl)prop-2-enoic acid
(E)-3-(Pyridin-3-yl)-2-propenoic acid
(E)-3-(Pyridin-3-yl)acrylic acid
(E)-3-(Pyridin-3-yl)prop-2-enoic acid
trans-β-(3-Pyridinyl)acrylic acid
trans-3-(3-Pyridyl)-2-propenoic acid
(E)-3-(3-Pyridyl)acrylic acid
(E)-3-(3-Pyridyl)prop-2-enoic acid

Work with trans-3-(3-Pyridyl)acrylic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-(3-Pyridinyl)-2-propenoic acid1126-74-5Stereo not defined

Similar compounds

3-(4-Pyridinyl)-2-propenoic acid5337-79-164 % similar 3-(4-Pyridine)acrylic acid84228-93-364 % similar Cinnamic acid140-10-363 % similar Cinnamic acid621-82-963 % similar p-Phenylenediacrylic acid16323-43-658 % similar (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-654 % similar 3-(3-Fluorophenyl)-2-propenoic acid458-46-854 % similar (2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-653 % similar

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

Same formula

4-Nitrostyrene100-13-0 β-Nitrostyrene102-96-5 3-Methoxyphenyl isocyanate18908-07-1 3-Methylbenzo[d]oxazol-2(3H)-one21892-80-8 5,6-Dihydroxyindole3131-52-0 5-Hydroxyoxindole3416-18-0 4-Hydroxy-3-methoxybenzonitrile4421-08-3

Elsewhere

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