Basic information
- CAS
60560-09-0- Standard SMILES
CC(C)(C)N=C(NC#N)Nc1cncc(Br)c1- InChIKey
IKQBUILEMPVYFM-UHFFFAOYSA-N- Molecular formula
- C11H14BrN5
- Average molar mass
- 296.17 g/mol
- Monoisotopic mass
- 295.04326
Names & identifiers
- Preferred name
- Guanidine, 3-(5-bromo-3-pyridyl)-1-tert-butyl-2-cyano-
- IUPAC
- 1-(5-bromo-3-pyridinyl)-2-tert-butyl-3-cyanoguanidine
Names & synonyms
60560-09-0BRN 0410610GUANIDINE, 3-(5-BROMO-3-PYRIDYL)-1-tert-BUTYL-2-CYANO-3-(5-Bromo-3-pyridyl)-1-tert-butyl-2-cyanoguanidineDTXSID302093425-22-09-00098 (Beilstein Handbook Reference)RefChem:346979DTXCID50131833CHEMBL316235N-(5-Bromopyridin-3-yl)-N''-tert-butyl-N'-cyanoguanidine
Database identifiers
- CAS
60560-09-0- PubChem CID
- 43348
- DTXSID
DTXSID30209342- ChEMBL
CHEMBL316235- Nikkaji
- J78.432J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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