3-Quinolinecarbonitrile

C₁₀H₆N₂CAS 34846-64-5154.17 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₁₀H₆N₂
Molar mass: 154.17 g/mol
Exact mass: 154.0531 Da
Melting point: 108–110 °C
logP: 2.11Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

34846-64-5

SMILES

N#Cc1cnc2ccccc2c1

InChIKey

QZZYYBQGTSGDPP-UHFFFAOYSA-N

InChI

InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H

Weigh it out

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

Names and synonyms

2 names

3-Cyanoquinoline
NSC 44644

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1H-Pyrrolo(2,3-b)pyridine-5-carbonitrile517918-95-553 % similar 3-Bromoquinoline5332-24-150 % similar 3-Aminoquinoline580-17-650 % similar 3-Hydroxyquinoline580-18-750 % similar 3-Methylquinoline612-58-850 % similar 3-Chloroquinoline612-59-950 % similar 2-Naphthalenecarbonitrile613-46-750 % similar 3-Quinolinecarboxaldehyde13669-42-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Isoquinolinecarbonitrile1198-30-7 2-Quinolinecarbonitrile1436-43-7 3-Isoquinolinecarbonitrile26947-41-1 Benzylidenemalononitrile2700-22-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook