5H-Cyclopenta[b]pyridine, 2-chloro-6,7-dihydro-, 1-oxide
Basic information
- CAS
911405-87-3- Standard SMILES
[O-][n+]1c(Cl)ccc2c1CCC2- InChIKey
XWKAUCDKZPTNJC-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO
- Average molar mass
- 169.61 g/mol
- Monoisotopic mass
- 169.0294416
Names & identifiers
- Preferred name
- 5H-Cyclopenta[b]pyridine, 2-chloro-6,7-dihydro-, 1-oxide
- IUPAC
- 2-chloro-1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium
- English name
- 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine1-oxide
- Molecular formula
- C8H8ClNO
- Molecular weight
- 169.61
Names & synonyms
911405-87-32-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine 1-oxide2-chloro-1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium5H-Cyclopenta[b]pyridine, 2-chloro-6,7-dihydro-, 1-oxideSCHEMBL3955713SCHEMBL30314728XWKAUCDKZPTNJC-UHFFFAOYSA-NDB-1497502-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine N-oxide2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine1-oxide2-Chloro-6,7-dihydro-5H-cyclopent[b]pyridine N-oxide
Database identifiers
- CAS
911405-87-3- PubChem CID
- 57597041
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 375.4 · 375.4±42.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- -0.17 · -0.17±0.20(Predicted)
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Related reactions
2 records
Compound notes
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