Basic information
- Standard SMILES
N#Cc1c(Cl)nc(Cl)c2c1CCN(Cc1ccccc1)C2- InChIKey
LKDPZIJXVRJBQC-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2N3
- Average molar mass
- 318.2 g/mol
Names & identifiers
- Preferred name
- 7-Benzyl-1,3-dichloro-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
- IUPAC
- 7-benzyl-1,3-dichloro-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
Names & synonyms
7-benzyl-1,3-dichloro-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile372090-70-57-benzyl-1,3-dichloro-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile7-Benzyl-1,3-dichloro-5,6,7,8-tetrahydro-[2,7]naphthyridine-4-carbonitrileSMR000221233Oprea1_875968MLS000331838CHEMBL1349755SCHEMBL15238668MFCD01877803STK596656AKOS005517757
Show more names
AT34527DA-35813SY5142787-benzyl-1,3-dichloro-5,6,7,8-tetrahydro-[2,7]-naphthyridine-4-carbonitrile
Database identifiers
- PubChem CID
- 561900
- ChEMBL
CHEMBL1349755
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
2 records
Compound notes
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