2-Quinolinecarbonitrile
Properties
- Molecular formula
- C10H6N2
- Molar mass
- 154.17 g/mol
- Exact mass
- 154.0531 Da
- Melting point
- 95 °C
- Boiling point
- 160 °C
- logP
- 2.11Crippen estimate
- Polar surface area
- 36.7 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin91.1% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled91.1% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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
1436-43-7SMILES
N#Cc1ccc2ccccc2n1InChIKey
WDXARTMCIRVMAE-UHFFFAOYSA-NInChI
InChI=1S/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Quinaldonitrile
- 2-Cyanoquinoline
- Quinoline-2-nitrile
- Quinoline-2-carbonitrile
Work with 2-Quinolinecarbonitrile
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,6-Pyridinedicarbonitrile2893-33-654 % similar
2,2′-Biquinoline119-91-552 % similar
1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile146767-63-748 % similar
1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile189882-33-548 % similar
6,6'-Dicyano-2,2'-bipyridyl4411-83-048 % similar
2-Bromoquinoline2005-43-847 % similar
2-Quinolone59-31-447 % similar
2-Chloroquinoline612-62-447 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.