4-Pyridineacetic acid hydrochloride

C₇H₈ClNO₂CAS 6622-91-9173.60 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

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

5 names

4-Pyridylacetic acid hydrochloride
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-Pyridineacetic 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.

4-Pyridineacetic acid28356-58-3Free base

Similar compounds

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 2-(Pyrimidin-5-yl)acetic acid5267-07-253 % similar 4-(Hydroxymethyl)phenylacetic acid73401-74-853 % similar 4-Aminophenylacetic acid1197-55-352 % 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 3-Pyridylacetic acid hydrochloride6419-36-9 4-Methylnicotinic acid hydrochloride94015-05-1

Elsewhere

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