2,6-Dihydroxy-5-fluoro-3-cyanopyridine

C6H3FN2O2CAS 113237-18-6154.10 g/mol

Open in Covalent MOL file
ONHFHON
Aryl halideNitrilePhenol

Properties

Molecular formula
C6H3FN2O2
Molar mass
154.10 g/mol
Exact mass
154.0179 Da
logP
0.09Crippen estimate
Polar surface area
76.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

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+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
113237-18-6
SMILES
C1=C(C(=O)NC(=C1F)O)C#N
InChIKey
JWNUZZLUDDUXPO-UHFFFAOYSA-N
InChI
InChI=1S/C6H3FN2O2/c7-4-1-3(2-8)5(10)9-6(4)11/h1H,(H2,9,10,11)

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Names and synonyms

1 names
  • 2,6-Dihydroxy-5-fluoro-3-cyano-pyridine

Work with 2,6-Dihydroxy-5-fluoro-3-cyanopyridine

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

2,4,5-Trifluorobenzonitrile98349-22-544 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-542 % similar 2,3,4,5-Tetrafluorobenzonitrile16582-93-741 % similar 2-Chloro-4,5-difluorobenzonitrile135748-34-439 % similar 5-Bromo-3-cyano-2-hydroxypyridine405224-22-839 % similar 2,5-Difluoro-4-methylbenzonitrile1003708-66-438 % similar 4-Amino-2,5-difluorobenzonitrile112279-61-538 % similar 2,4-Dichloro-5-fluorobenzonitrile128593-93-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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