3-Pyridylacetic acid hydrochloride

C7H8ClNO2CAS 6419-36-9173.60 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
logP
1.13Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 76 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
6419-36-9
SMILES
Cl.O=C(O)Cc1cccnc1
InChIKey
XVCCOEWNFXXUEV-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2.ClH/c9-7(10)4-6-2-1-3-8-5-6;/h1-3,5H,4H2,(H,9,10);1H

Weigh it out

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

Names and synonyms

4 names
  • 3-Pyridineacetic acid, hydrochloride (1:1)
  • 3-Pyridineacetic acid, hydrochloride
  • Pyridin-3-ylacetic acid hydrochloride
  • 2-(Pyridin-3-yl)acetic acid hydrochloride

Work with 3-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

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-Pyridineacetic acid501-81-5Free base

Similar compounds

3-Pyridinepropanoic acid3724-19-464 % similar (R)-3-Amino-4-(3-pyridyl)-butyric acid-2hcl269396-64-763 % similar 4-Pyridineacetic acid28356-58-356 % similar 2-(Pyrimidin-5-yl)acetic acid5267-07-256 % similar Phenylacetic acid103-82-255 % similar 1,3-Benzenediacetic acid19806-17-853 % similar 3-(Chloromethyl)pyridine hydrochloride6959-48-450 % similar 1,4-Benzenediacetic acid7325-46-450 % 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 2-Chloro-N-((furan-2-yl)methyl)acetamide40914-13-4 Trigonelline hydrochloride6138-41-6 4-Pyridineacetic acid hydrochloride6622-91-9 4-Methylnicotinic acid hydrochloride94015-05-1

Elsewhere

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