Basic information
- CAS
27693-38-5- Standard SMILES
O=C(c1ccc([N+](=O)[O-])cc1)c1ccccn1- InChIKey
DKADZZGFYHQBFQ-UHFFFAOYSA-N- Molecular formula
- C12H8N2O3
- Average molar mass
- 228.2 g/mol
- Monoisotopic mass
- 228.05349212
Names & identifiers
- Preferred name
- 2-(4-Nitrobenzoyl)pyridine
- IUPAC
- (4-nitrophenyl)-pyridin-2-ylmethanone
- English name
- 2-(4-Nitrobenzoyl)pyridine
- Molecular formula
- C12H8N2O3
- Molecular weight
- 228.2
Names & synonyms
2-(4-NITROBENZOYL)PYRIDINE27693-38-5(4-nitrophenyl)-pyridin-2-ylmethanone(4-nitrophenyl)(pyridin-2-yl)methanoneNSC153606SCHEMBL7112517DTXSID50302788(4-nitrophenyl)-(2-pyridyl)methanoneAKOS016018638NSC 153606NSC-153606Methanone, (4-nitrophenyl)-2-pyridinyl-
Show more names
F202547
Database identifiers
- CAS
27693-38-5- PubChem CID
- 290342
- DTXSID
DTXSID50302788
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 100 °C · 100 °C
- Boiling point
- 416.8 · 416.8±25.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- pka
- 2.13 · 2.13±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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