4-Pyridineacetic acid
Properties
- Molecular formula
- C7H7NO2
- Molar mass
- 137.14 g/mol
- Exact mass
- 137.0477 Da
- Melting point
- 141 °C (decomposes)
- logP
- 0.71Crippen estimate
- Polar surface area
- 50.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
28356-58-3SMILES
O=C(O)Cc1ccncc1InChIKey
PAEXAIBDCHBNDC-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO2/c9-7(10)5-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 4-Pyridylacetic acid
- 4-Carboxymethylpyridine
- (4-Pyridinyl)acetic acid
- 2-(Pyridin-4-yl)acetic acid
Work with 4-Pyridineacetic acid
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.
Similar compounds
1,4-Benzenediacetic acid7325-46-471 % similar
Phenylacetic acid103-82-263 % similar
4-Mercaptophenylacetic acid39161-84-762 % similar
3-Pyridineacetic acid501-81-561 % similar
4-Hydroxyphenylacetic acid156-38-759 % similar
2-(Pyrimidin-5-yl)acetic acid5267-07-259 % similar
4-(Hydroxymethyl)phenylacetic acid73401-74-859 % similar
4-Aminophenylacetic acid1197-55-357 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.