chempirical

4-Isocyanatopyridine

C6H4N2OCAS 70067-45-7120.11 g/mol

Open in Covalent MOL file
NNO
Isocyanate

Properties

Molecular formula
C6H4N2O
Molar mass
120.11 g/mol
Exact mass
120.0324 Da
logP
1.05Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
70067-45-7
SMILES
C1=CN=CC=C1N=C=O
InChIKey
IGGZHDMWZNFDBQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O/c9-5-8-6-1-3-7-4-2-6/h1-4H

Weigh it out

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

Names and synonyms

1 names
  • Pyridine, 4-isocyanato-

Work with 4-Isocyanatopyridine

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

p-Phenylene diisocyanate104-49-467 % similar Phenyl isocyanate103-71-958 % similar 4-Chlorophenyl isocyanate104-12-154 % similar 1,3-Diisocyanatobenzene123-61-552 % similar Methylene diphenyl diisocyanate101-68-852 % similar 4-Fluorophenyl isocyanate1195-45-552 % similar 4,4′,4′′-Triphenylmethane triisocyanate2422-91-552 % similar 4-Bromophenyl isocyanate2493-02-952 % similar

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

Same formula

4-Cyanopyridine N-oxide14906-59-3 3-Cyanopyridine 1-oxide14906-64-0 5-Hydroxypyridine-3-carbonitrile152803-24-2 3-Cyano-2-pyridone20577-27-9 2,1,3-Benzoxadiazole273-09-6 2-Cyano-5-hydroxypyridine86869-14-9 3-Hydroxy-2-pyridinecarbonitrile932-35-4 1,6-Dihydro-6-oxo-3-pyridinecarbonitrile94805-52-4

Elsewhere

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