chempirical

5-Ethylpicolinic acid

C8H9NO2CAS 770-08-1151.16 g/mol

Open in Covalent MOL file
OOHN
Carboxylic acid

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
110 °C
logP
1.34Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
770-08-1
SMILES
CCc1ccc(C(=O)O)nc1
InChIKey
SHCDHIRSCJOUBW-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h3-5H,2H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

4 names
  • 2-Pyridinecarboxylic acid, 5-ethyl-
  • Picolinic acid, 5-ethyl-
  • 5-Ethyl-2-pyridinecarboxylic acid
  • 5-Ethyl-2-picolinic acid

Work with 5-Ethylpicolinic 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

Fusaric acid536-69-668 % similar 2,5-Pyridinedicarboxylic acid100-26-556 % similar 4-Ethylbenzoic acid619-64-756 % similar 5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-554 % similar 5-Fluoropyridine-2-carboxylic acid107504-08-553 % similar 5-Aminopicolinic acid24242-20-453 % similar 2,5-Pyrazinedicarboxylic acid122-05-452 % similar 5-Methyl 2,5-pyridinedicarboxylate17874-79-249 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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