6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
Properties
- Molecular formula
- C8H6F3NO3
- Molar mass
- 221.14 g/mol
- Exact mass
- 221.0300 Da
- logP
- 1.72Crippen estimate
- Polar surface area
- 59.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed33.3% of notifiers
- H303 May be harmful if swallowed33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation100% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
175204-90-7SMILES
C1=CC(=NC=C1C(=O)O)OCC(F)(F)FInChIKey
GZOOLXWQKURRPU-UHFFFAOYSA-NInChI
InChI=1S/C8H6F3NO3/c9-8(10,11)4-15-6-2-1-5(3-12-6)7(13)14/h1-3H,4H2,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 6-(2,2,2-Trifluoroethoxy)nicotinic acid
Work with 6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
Similar compounds
6-Methoxynicotinic acid66572-55-256 % similar
6-Trifluoromethylnicotinic acid231291-22-852 % similar
6-Fluoronicotinic acid403-45-250 % similar
6,6'-Dithiodinicotinic acid15658-35-249 % similar
[2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-849 % similar
2,5-Pyridinedicarboxylic acid100-26-548 % similar
6-Hydroxynicotinic acid5006-66-646 % similar
2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid35480-52-546 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.