chempirical

2-Pyridylacetic acid hydrochloride

C7H8ClNO2CAS 16179-97-8173.60 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
logP
1.13Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
16179-97-8
SMILES
Cl.O=C(O)Cc1ccccn1
InChIKey
MQVISALTZUNQSK-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h1-4H,5H2,(H,9,10);1H

Weigh it out

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

Names and synonyms

6 names
  • 2-Pyridineacetic acid, hydrochloride (1:1)
  • 2-Pyridineacetic acid, hydrochloride
  • 2-Pyridylacetic acid monohydrochloride
  • 2-(Pyridin-2-yl)acetic acid hydrochloride
  • 2-Pyridinylacetic acid hydrochloride
  • 2-(Carboxymethyl)pyridin-1-ium chloride

Work with 2-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

Methyl 2-pyridineacetate1658-42-049 % similar Picolyl chloride hydrochloride6959-47-349 % similar 1,2-Benzenediacetic acid7500-53-048 % similar Phenylacetic acid103-82-247 % similar 4-Pyridineacetic acid28356-58-344 % similar 2-Pyridinemethanol586-98-144 % similar 3-Pyridineacetic acid501-81-544 % similar Betahistine dihydrochloride5579-84-043 % 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 Trigonelline hydrochloride6138-41-6 3-Pyridylacetic acid hydrochloride6419-36-9 4-Pyridylacetic acid hydrochloride6622-91-9

Elsewhere

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