1,6-Dihydro-6-oxo-3-pyridinecarbonitrile
Properties
- Molecular formula
- C6H4N2O
- Molar mass
- 120.11 g/mol
- Exact mass
- 120.0324 Da
- Melting point
- 252–253 °C
- logP
- 0.25Crippen estimate
- Polar surface area
- 56.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed66.7% of notifiers
- H312 Harmful in contact with skin66.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled66.7% 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
94805-52-4SMILES
N#Cc1ccc(=O)[nH]c1InChIKey
CCQUUHVUQQFTGV-UHFFFAOYSA-NInChI
InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 3-Pyridinecarbonitrile, 1,6-dihydro-6-oxo-
- 5-Cyano-2-pyridone
- 5-Cyano-2-pyridinol
- 3-Cyano-6-hydroxypyridine
- 6-Oxo-1,6-dihydro-3-pyridinecarbonitrile
- 6-Hydroxypyridine-3-carbonitrile
- 6-Hydroxynicotinonitrile
- 2-Hydroxy-5-cyanopyridine
Work with 1,6-Dihydro-6-oxo-3-pyridinecarbonitrile
Similar compounds
2-Amino-5-cyanopyridine4214-73-753 % similar
1,4-Dicyanobenzene623-26-746 % similar
2-Hydroxy-5-trifluoromethylpyridine33252-63-044 % similar
2-Hydroxy-5-iodopyridine13472-79-243 % similar
(1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-641 % similar
5-Amino-2-pyridinol hydrochloride, 95117865-72-239 % similar
4-Cyanophenyl isocyanate40465-45-039 % similar
5-(Pyridin-2-yl)-2(1H)-pyridone381233-78-938 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.