Basic information
- CAS
38172-59-7- Standard SMILES
Nc1nc(-c2cccnc2)cc2ccccc12- InChIKey
HKTHEKGLHMSGCU-UHFFFAOYSA-N- Molecular formula
- C14H11N3
- Average molar mass
- 221.26 g/mol
- Monoisotopic mass
- 221.09529736
Names & identifiers
- Preferred name
- Isoquinoline, 1-amino-3-(3-pyridyl)-
- IUPAC
- 3-pyridin-3-ylisoquinolin-1-amine
Names & synonyms
38172-59-7Isoquinoline, 1-amino-3-(3-pyridyl)-3-(pyridin-3-yl)isoquinolin-1-amine1-Amino-3-(3-pyridyl)isoquinoline1-Isoquinolinamine, 3-(3-pyridinyl)-BRN 0745887NSC277985SCHEMBL509836SCHEMBL8218589SCHEMBL8219421DTXSID10191559NSC 277985
Show more names
NSC-277985
Database identifiers
- CAS
38172-59-7- PubChem CID
- 100262
- DTXSID
DTXSID10191559
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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