2-(Trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid

C₁₀H₅F₃N₂O₂CAS 241154-08-5242.16 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₅F₃N₂O₂
Molar mass: 242.16 g/mol
Exact mass: 242.0303 Da
logP: 2.35Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

241154-08-5

SMILES

O=C(O)c1cc2cccnc2nc1C(F)(F)F

InChIKey

VADNFSJODZWNRD-UHFFFAOYSA-N

InChI

InChI=1S/C10H5F3N2O2/c11-10(12,13)7-6(9(16)17)4-5-2-1-3-14-8(5)15-7/h1-4H,(H,16,17)

Weigh it out

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

Names and synonyms

2 names

1,8-Naphthyridine-3-carboxylic acid, 2-(trifluoromethyl)-
2-Trifluoromethyl-1,8-naphthyridine-3-carboxylic acid

Work with 2-(Trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid

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

Similar compounds

2-(Trifluoromethyl)-3-quinolinecarboxylic acid587886-26-866 % similar 2-(Trifluoromethyl)nicotinic acid131747-43-862 % similar 3-Fluoro-2-trifluoromethyl-isonicotinic acid886510-09-449 % similar 3-(Trifluoromethyl)pyridine-2-carboxylic acid87407-12-348 % similar 8-Quinolinecarboxylic acid86-59-947 % similar Niflumic acid4394-00-745 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-645 % similar 2-Fluoronicotinic acid393-55-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Trifluoromethyl)-1,6-naphthyridine-3-carboxylic acid240408-97-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook