2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile

C₇H₃F₃N₂O₂CAS 3335-46-4204.11 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile Phenol

Properties

Molecular formula: C₇H₃F₃N₂O₂
Molar mass: 204.11 g/mol
Exact mass: 204.0147 Da
logP: 0.97Crippen estimate
Polar surface area: 76.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

3335-46-4

SMILES

C1=C(C(=C(NC1=O)O)C#N)C(F)(F)F

InChIKey

JRLZWXISQMMITA-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F3N2O2/c8-7(9,10)4-1-5(13)12-6(14)3(4)2-11/h1H,(H2,12,13,14)

Weigh it out

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

Names and synonyms

1 names

3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine

Work with 2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile

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

6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile654-49-950 % similar 2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile3335-44-247 % similar 2,6-Bis(trifluoromethyl)benzonitrile25753-25-745 % similar 3-Cyano-6-(2-thienyl)-4-trifluoromethyl-2(1H)-pyridone22123-11-142 % similar 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile13600-42-542 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-340 % similar 4-Hydroxy-2-(trifluoromethyl)benzonitrile320-42-340 % similar 4-Hydroxy-3-(trifluoromethyl)benzonitrile124811-71-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook