Completing data — usually done within a minute
Basic information
- CAS
88940-62-9- Standard SMILES
N#CCCCC#Cc1cccnc1- InChIKey
VWMHGNWGUWDADD-UHFFFAOYSA-N- Molecular formula
- C11H10N2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.08439833
Names & identifiers
- Preferred name
- 6-(3-Pyridinyl)-5-hexynenitrile
- IUPAC
- 6-pyridin-3-ylhex-5-ynenitrile
Names & synonyms
88940-62-96-(3-pyridinyl)-5-hexynenitrileSCHEMBL10889195DTXSID70548101VWMHGNWGUWDADD-UHFFFAOYSA-N6-pyridin-3-yl-hex-5-ynenitrile6-(PYRIDIN-3-YL)HEX-5-YNENITRILE
Database identifiers
- CAS
88940-62-9- PubChem CID
- 13739737
- DTXSID
DTXSID70548101
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Related reactions
5 records
Compound notes
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