6-Chloro-3-pyridazinecarbonitrile

C5H2ClN3CAS 35857-89-7139.54 g/mol

Open in Covalent MOL file
NNNCl
Aryl halideNitrile

Properties

Molecular formula
C5H2ClN3
Molar mass
139.54 g/mol
Exact mass
138.9937 Da
logP
1.00Crippen estimate
Polar surface area
49.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
35857-89-7
SMILES
C1=CC(=NN=C1C#N)Cl
InChIKey
YMUOLGNUZURDEW-UHFFFAOYSA-N
InChI
InChI=1S/C5H2ClN3/c6-5-2-1-4(3-7)8-9-5/h1-2H

Weigh it out

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

Names and synonyms

1 names
  • 6-Chloropyridazine-3-carbonitrile

Work with 6-Chloro-3-pyridazinecarbonitrile

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

3,6-Dichloropyridazine141-30-055 % similar 6-Chloro-2-pyridinecarbonitrile33252-29-852 % similar 6-Chloronicotinonitrile33252-28-745 % similar 5-Chloro-2-pyridinecarbonitrile89809-64-345 % similar 2,6-Pyridinedicarbonitrile2893-33-644 % similar 2,6-Dichloropyridine-3-carbonitrile40381-90-644 % similar Pyridazine-3-carbonitrile53896-49-443 % similar 3-Chloro-6-phenylpyridazine20375-65-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloropyridazine-4-carbonitrile1445-56-3 2-Chloro-5-cyanopyrazine36070-75-4 5-Chloropyrimidine-2-carbonitrile38275-56-8 3-Chloropyrazine-2-carbonitrile55557-52-3 6-Chloro-2-pyrazinecarbonitrile6863-74-7 2-Chloropyrimidine-4-carbonitrile75833-38-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook