chempirical

2-Cyanopyridine

C6H4N2CAS 100-70-9104.11 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C6H4N2
Molar mass
104.11 g/mol
Exact mass
104.0374 Da
Density
1.081 g/mL (at 25 °C)
Melting point
29 °C
Boiling point
224.5 °C
logP
0.95Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
100-70-9
SMILES
N#Cc1ccccn1
InChIKey
FFNVQNRYTPFDDP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H

Weigh it out

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

Names and synonyms

10 names
  • 2-Pyridinecarbonitrile
  • Picolinonitrile
  • Picolinic acid nitrile
  • 2-Pyridinenitrile
  • 2-Pyridyl cyanide
  • 2-Azabenzonitrile
  • α-Cyanopyridine
  • 2-Pyridylnitrile
  • NSC 59697
  • 2-Nitrilopyridine

Work with 2-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

2,6-Pyridinedicarbonitrile2893-33-657 % similar 2-Ethynylpyridine1945-84-256 % similar 2,4-Pyridinedicarbonitrile29181-50-852 % similar 2-Pyrimidinecarbonitrile14080-23-050 % similar Pyrazinecarbonitrile19847-12-250 % similar 4-Methyl-2-pyridinecarbonitrile1620-76-448 % similar 4-Chloro-2-cyanopyridine19235-89-348 % similar 4-Bromo-2-pyridinecarbonitrile62150-45-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Cyanopyridine100-48-1 Nicotinonitrile100-54-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook