Basic information
- CAS
64319-85-3- Standard SMILES
Brc1cncc(C2=NCCC2)c1- InChIKey
JENATANFRDRZCY-UHFFFAOYSA-N- Molecular formula
- C9H9BrN2
- Average molar mass
- 225.08 g/mol
- Monoisotopic mass
- 223.99491
Names & identifiers
- Preferred name
- 3-bromo-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
- IUPAC
- 3-bromo-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
- English name
- 3-broMo-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
- Molecular formula
- C9H9BrN2
- Molecular weight
- 225.09
Names & synonyms
3-bromo-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridine64319-85-33-bromo-5-(4,5-dihydro-3H-pyrrol-2-yl)-pyridineSCHEMBL7698599DTXSID40450121AKOS016845390DB-315206Q63409028Pyridine, 3-bromo-5-(3,4-dihydro-2H-pyrrol-5-yl)-
Database identifiers
- CAS
64319-85-3- PubChem CID
- 10966176
- DTXSID
DTXSID40450121- Nikkaji
- J812.583J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 291.3 · 291.3±40.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.03 · 6.03±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
郑州药领医药科技有限公司13526569071 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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