3-Pyridineacetic acid
Properties
- Molecular formula
- C7H7NO2
- Molar mass
- 137.14 g/mol
- Exact mass
- 137.0477 Da
- Melting point
- 144 °C
- logP
- 0.71Crippen estimate
- Polar surface area
- 50.2 Ų
- 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 irritation98.7% of notifiers
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
501-81-5SMILES
O=C(O)Cc1cccnc1InChIKey
WGNUNYPERJMVRM-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- 3-Pyridylacetic acid
- Toneon
- Coletin
- Lessterol
- Lioxone
- Minedil
- Piridil
- Piristerol
- 2-(3-Pyridyl)acetic acid
- α-(3-Pyridyl)acetic acid
- Pyridin-3-ylacetic acid
- 2-(Pyridin-3-yl)acetic acid
- 3-Carboxymethylpyridine
- NSC 70769
Work with 3-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
3-Pyridinepropanoic acid3724-19-470 % similar
2-(Pyrimidin-5-yl)acetic acid5267-07-261 % similar
Phenylacetic acid103-82-260 % similar
1,3-Benzenediacetic acid19806-17-858 % similar
(R)-3-Amino-4-(3-pyridyl)-butyric acid-2hcl269396-64-756 % similar
4-Pyridineacetic acid hydrochloride6622-91-956 % similar
1,4-Benzenediacetic acid7325-46-455 % similar
2-(6-Chloropyridin-3-yl)acetic acid39891-13-951 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.