Ethyl 5-(bromomethyl)nicotinate
Basic information
- CAS
156691-99-5- Standard SMILES
CCOC(=O)c1cncc(CBr)c1- InChIKey
DZIIEYIOMDDTHJ-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO2
- Average molar mass
- 244.08 g/mol
- Monoisotopic mass
- 242.98949
Names & identifiers
- Preferred name
- Ethyl 5-(bromomethyl)nicotinate
- IUPAC
- ethyl 5-(bromomethyl)pyridine-3-carboxylate
- English name
- 5-Bromomethyl-nicotinic acid ethyl ester
- Molecular formula
- C9H10BrNO2
- Molecular weight
- 244.09
Names & synonyms
Ethyl 5-(bromomethyl)nicotinate156691-99-5ETHYL 5-(BROMOMETHYL)PYRIDINE-3-CARBOXYLATEEthyl5-(bromomethyl)nicotinateSCHEMBL17161944SCHEMBL30194734DTXSID50695420DB-085730Ethyl 5-(bromomethyl)-3-pyridinecarboxylate5-Bromomethyl-nicotinic acid ethyl ester3-Pyridinecarboxylic acid, 5-(bromomethyl)-, ethyl ester
Database identifiers
- CAS
156691-99-5- PubChem CID
- 53404683
- DTXSID
DTXSID50695420
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 318.6 · 318.6±32.0 °C(Predicted)
- Density
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.39 · 2.39±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…