chempirical

4-Pyridylacetic acid hydrochloride

C7H8ClNO2CAS 6622-91-9173.60 g/mol

Open in Covalent MOL file
HClOHON
Carboxylic acid

Properties

Molecular formula
C7H8ClNO2
Molar mass
173.60 g/mol
Exact mass
173.0244 Da
Melting point
130–131 °C
logP
1.13Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
6622-91-9
SMILES
Cl.O=C(O)Cc1ccncc1
InChIKey
WKJRYVOTVRPAFN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2.ClH/c9-7(10)5-6-1-3-8-4-2-6;/h1-4H,5H2,(H,9,10);1H

Weigh it out

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

Names and synonyms

4 names
  • 4-Pyridineacetic acid, hydrochloride (1:1)
  • 4-Pyridineacetic acid, hydrochloride
  • 2-(Pyridin-4-yl)acetic acid hydrochloride
  • Pyridin-4-ylacetic acid hydrochloride

Work with 4-Pyridylacetic acid hydrochloride

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

4-Pyridineacetic acid28356-58-388 % similar 1,4-Benzenediacetic acid7325-46-463 % similar Phenylacetic acid103-82-257 % similar 4-Mercaptophenylacetic acid39161-84-756 % similar 3-Pyridineacetic acid501-81-556 % similar 4-Hydroxyphenylacetic acid156-38-753 % similar 4-(Bromomethyl)phenylacetic acid13737-36-552 % similar 4-Iodophenylacetic acid1798-06-752 % similar

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

Same formula

4-Chloro-3-methoxy-2-methylpyridine N-oxide122307-41-9 3-Aminobenzoic acid hydrochloride15151-51-6 2-Pyridylacetic acid hydrochloride16179-97-8 Trigonelline hydrochloride6138-41-6 3-Pyridylacetic acid hydrochloride6419-36-9

Elsewhere

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