2-(1H-pyrrol-1-yl)pyridine
Basic information
- CAS
50966-74-0- Standard SMILES
c1ccc(-n2cccc2)nc1- InChIKey
AWOGYKQLZGNICG-UHFFFAOYSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.06874826
Names & identifiers
- Preferred name
- 2-(1H-pyrrol-1-yl)pyridine
- IUPAC
- 2-pyrrol-1-ylpyridine
- English name
- 2-(1H-Pyrrol-1-yl)pyridine
- Molecular formula
- C9H8N2
- Molecular weight
- 144.17
Names & synonyms
2-(1H-Pyrrol-1-yl)pyridine50966-74-04HNC0LJ5NGPyridine, 2-(1H-pyrrol-1-yl)-EINECS 256-867-2N-(2-PYRIDYL)PYRROLE1-(2-PYRIDINYL)PYRROLEDTXSID00198976RefChem:83864DTXCID60121467256-867-22-pyrrol-1-ylpyridine
Show more names
BUTTPARK 91\18-041-(2-PYRIDYL)PYRROLEN-(PYRID-2-YL)PYRROLE2-PYRROL-1-YL-PYRIDINE
MFCD00023415N-Pyridyl-Pyrrol2-pyrrolylpyridinePyridine,2-(1H-pyrrol-1-yl)-UNII-4HNC0LJ5NGSCHEMBL1235012SCHEMBL1316605SCHEMBL1437298
Database identifiers
- CAS
50966-74-0- PubChem CID
- 736557
- DTXSID
DTXSID00198976- ChEMBL
CHEMBL1643350- UNII
- 4HNC0LJ5NG
- EC Number
- 256-867-2
- Nikkaji
- J261.598C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 17 °C · 17 °C
- Boiling point
- 260 · 260-261 °C
- Density
- 1.112 g/cm3 · 1.1120 g/cm3
- storage temp.
- 2 · 2-8°C
- pka
- -0.06 · -0.06±0.19(Predicted)
- FDA UNII
- 4 HNC0LJ5NG · 4HNC0LJ5NG
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Related reactions
2 records
Compound notes
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