chempirical

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

C7H3F3N2O2CAS 3335-46-4204.11 g/mol

Open in Covalent MOL file
HNOOHNFFF
Alkyl halideNitrilePhenol

Properties

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

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)

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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

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 6-Fluoro-4-(trifluoromethyl)-2(1H)-quinolinone328956-08-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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