2H-Pyrano[3,2-b]pyridine
Basic information
- CAS
4767-91-3- Standard SMILES
C1=Cc2ncccc2OC1- InChIKey
FEAVXMPFTQROEI-UHFFFAOYSA-N- Molecular formula
- C8H7NO
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.05276385
Names & identifiers
- Preferred name
- 2H-Pyrano[3,2-b]pyridine
- IUPAC
- 2H-pyrano[3,2-b]pyridine
- English name
- 2H-Pyrano[3,2-b]pyridine
- Molecular formula
- C8H7NO
- Molecular weight
- 133.15
Names & synonyms
2H-Pyrano[3,2-b]pyridine4767-91-3pyranopyridine2-H-dihydropyrano[3,2-b]pyridineSCHEMBL160028SCHEMBL2119387SCHEMBL2119392SCHEMBL31020837DTXSID50336482FEAVXMPFTQROEI-UHFFFAOYSA-N
Database identifiers
- CAS
4767-91-3- PubChem CID
- 534033
- DTXSID
DTXSID50336482- Nikkaji
- J127.451A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 56 °C · 56 °C(Press: 0.8 Torr)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 4.34 · 4.34±0.20(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
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
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
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Related reactions
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Compound notes
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