4-Cyanopyridine

C6H4N2CAS 100-48-1104.11 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C6H4N2
Molar mass
104.11 g/mol
Exact mass
104.0374 Da
Melting point
79 °C
Boiling point
213.5 °C
logP
0.95Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 79 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, P321, P330, P337+P317, P362+P364, P501

Identifiers

CAS number
100-48-1
SMILES
N#Cc1ccncc1
InChIKey
GPHQHTOMRSGBNZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H

Weigh it out

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

Names and synonyms

10 names
  • 4-Pyridinecarbonitrile
  • Isonicotinonitrile
  • Isonicotinic acid nitrile
  • γ-Cyanopyridine
  • 4-Pyridinenitrile
  • 4-Azabenzonitrile
  • 4-Pyridyl cyanide
  • 4-Pyridylcarbonitrile
  • NSC 60681
  • 4-Nitrilopyridine

Work with 4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dicyanobenzene623-26-761 % similar Benzonitrile100-47-055 % similar 1,2-Di(pyridin-4-yl)ethyne73564-69-955 % similar 4-Pyridazinecarbonitrile68776-62-554 % similar (1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-652 % similar 2,4-Pyridinedicarbonitrile29181-50-850 % similar 4-Ethynylpyridine2510-22-748 % similar 5-Cyanopyrimidine40805-79-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nicotinonitrile100-54-9 2-Cyanopyridine100-70-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook