4-Hydroxy-7-cyanoquinoline
Basic information
- CAS
860205-30-7- Standard SMILES
N#Cc1ccc2c(O)ccnc2c1- InChIKey
RLPFPQFPWYYNOP-UHFFFAOYSA-N- Molecular formula
- C10H6N2O
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.04801282
Names & identifiers
- Preferred name
- 4-Hydroxy-7-cyanoquinoline
- IUPAC
- 4-oxo-1H-quinoline-7-carbonitrile
- English name
- 4-Hydroxy-7-cyanoquinoline
- Molecular formula
- C10H6N2O
- Molecular weight
- 170.17
Names & synonyms
4-HYDROXY-7-CYANOQUINOLINE860205-30-74-Oxo-1,4-dihydroquinoline-7-carbonitrile1186230-86-34-HYDROXYQUINOLINE-7-CARBONITRILE4-oxo-1H-quinoline-7-carbonitrileMFCD18803146SCHEMBL20301220AKOS006287174SB68089DB-0765407-Quinolinecarbonitrile, 4-hydroxy-
Database identifiers
- CAS
860205-30-7- PubChem CID
- 49757962
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 402.7 · 402.7±25.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.99 · 7.99±0.27(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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