2-CL-pyridine,cyanoguanidyl derivative
Basic information
- CAS
111988-43-3- Standard SMILES
N#CNC1=NCCN1Cc1ccc(Cl)nc1- InChIKey
QNSLBNMSETUZJN-UHFFFAOYSA-N- Molecular formula
- C10H10ClN5
- Average molar mass
- 235.67 g/mol
- Monoisotopic mass
- 235.062473
Names & identifiers
- Preferred name
- 2-CL-pyridine,cyanoguanidyl derivative
- IUPAC
- [1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide
Names & synonyms
CHEMBL2251976SCHEMBL5833213SCHEMBL5833216SCHEMBL9014553SCHEMBL19975726DTXSID00875876BDBM504880222-CL-pyridine,cyanoguanidyl derivative{1-[(6-Chloropyridin-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-yl}cyanamide
Database identifiers
- CAS
111988-43-3- PubChem CID
- 9837580
- DTXSID
DTXSID00875876- ChEMBL
CHEMBL2251976- Nikkaji
- J532.371A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
LogP0.77
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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