(6-Bromopyridin-3-yl)(phenyl)methanone
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Basic information
- CAS
80100-16-9- Standard SMILES
O=C(c1ccccc1)c1ccc(Br)nc1- InChIKey
RHEQJLUMFGWOJK-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO
- Average molar mass
- 262.1 g/mol
- Monoisotopic mass
- 260.97893
Names & identifiers
- Preferred name
- (6-Bromopyridin-3-yl)(phenyl)methanone
- IUPAC
- (6-bromo-3-pyridinyl)-phenylmethanone
- English name
- (6-BROMO-PYRIDIN-2-YL)-PHENYL-METHANONE
- Molecular formula
- C12H8BrNO
- Molecular weight
- 262.1
Names & synonyms
80100-16-9(6-bromopyridin-3-yl)(phenyl)methanone(6-bromopyridin-3-yl)-phenylmethanone(6-BROMO-PYRIDIN-2-YL)-PHENYL-METHANONE(6-BROMO-PYRIDIN-3-YL)-PHENYL-METHANONESCHEMBL10633423RHEQJLUMFGWOJK-UHFFFAOYSA-NDA-02680A1-039663-benzoyl-6-bromopyridine(6-Bromo-3-pyridinyl)phenylmethanoneMethanone, (6-bromo-3-pyridinyl)phenyl-
Show more names
Methanone,(4-bromophenyl)-1-piperidinyl-
Database identifiers
- CAS
80100-16-9- PubChem CID
- 20145702
- Nikkaji
- J2.914.336F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 374.402 · 374.402±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.481 · 1.481±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.209 · -1.209±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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