Basic information
- CAS
70486-24-7- Standard SMILES
N#CN=CN1CC=C(c2ccc(Cl)cc2)CC1- InChIKey
WOBQCEMCOHJZTJ-UHFFFAOYSA-N- Molecular formula
- C13H12ClN3
- Average molar mass
- 245.71 g/mol
- Monoisotopic mass
- 245.0719751
Names & identifiers
- Preferred name
- [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methylidenecyanamide
- IUPAC
- [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methylidenecyanamide
Names & synonyms
MLS00311559970486-24-7NSC289090CHEMBL3188270CHEMBL4296888DTXSID00314831NSC-289090SMR001831172{(E)-[4-(4-Chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]methylidene}cyanamide
Database identifiers
- CAS
70486-24-7- PubChem CID
- 324261
- DTXSID
DTXSID00314831- ChEMBL
CHEMBL3188270、CHEMBL4296888
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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