Basic information
- CAS
1125-96-8- Standard SMILES
C1=C(c2cccnc2)NCC1- InChIKey
VSECEWAIAJHRGJ-UHFFFAOYSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.08439833
Names & identifiers
- Preferred name
- 3-(4,5-Dihydro-1H-pyrrol-2-yl)pyridine
- IUPAC
- 3-(2,3-dihydro-1H-pyrrol-5-yl)pyridine
- English name
- 2-(3-Pyridinyl)-2-pyrroline
- Molecular formula
- C9H10N2
- Molecular weight
- 146.19
Names & synonyms
1125-96-83-(4,5-Dihydro-1H-pyrrol-2-yl)pyridine2-(3-Pyridinyl)-2-pyrroline3-(2,3-dihydro-1H-pyrrol-5-yl)pyridinePyridine, 3-(2-pyrrolin-2-yl)3-(2,3-Dihydropyrrol-2-yl)pyridineBRN 06073002-[3-pyridyl]pyrrolineSCHEMBL1207625SCHEMBL6097244CHEMBL2286829DTXSID40920819
Show more names
3-(2-Pyrrolin-2-yl)pyridineMyosmine, May Contain up to 2% WaterPyridine, 3-(4,5-dihydro-1H-pyrrol-2-yl)-
AKOS006223479EBC-616651DB-228341
Database identifiers
- CAS
1125-96-8- PubChem CID
- 68282
- DTXSID
DTXSID40920819- ChEMBL
CHEMBL2286829- Nikkaji
- J51.342C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 44 °C · 44 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 293 °C · 293 °C
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- 7.3 · 7.30±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Spectrum Chemical Mfg. Corp.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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