Basic information
- CAS
108610-76-0- Standard SMILES
N#Cc1cc(-c2ccncc2)cnc1NCCO- InChIKey
IGONFPONKAUKLD-UHFFFAOYSA-N- Molecular formula
- C13H12N4O
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.10111102
Names & identifiers
- Preferred name
- (3,4'-Bipyridine)-5-carbonitrile, 6-((2-hydroxyethyl)amino)-
- IUPAC
- 2-(2-hydroxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile
Names & synonyms
(3,4'-Bipyridine)-5-carbonitrile, 6-((2-hydroxyethyl)amino)-108610-76-0SCHEMBL7291065DTXSID301486066-[(2-Hydroxyethyl)amino][3,4'-bipyridine]-5-carbonitrile
Database identifiers
- CAS
108610-76-0- PubChem CID
- 86287
- DTXSID
DTXSID30148606- Nikkaji
- J575.275B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
LogP1.17
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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