Ethyl 4-chloro-1,8-naphthyridine-3-carboxylate
Basic information
- CAS
944709-62-0- Standard SMILES
CCOC(=O)c1cnc2ncccc2c1Cl- InChIKey
APBWURPIPJQHOA-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O2
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0352552
Names & identifiers
- Preferred name
- Ethyl 4-chloro-1,8-naphthyridine-3-carboxylate
- IUPAC
- ethyl 4-chloro-1,8-naphthyridine-3-carboxylate
- English name
- ethyl 4-chloro-1,8-naphthyridine-3-carboxylate
- Molecular formula
- C11H9ClN2O2
- Molecular weight
- 236.65
Names & synonyms
ethyl 4-chloro-1,8-naphthyridine-3-carboxylate944709-62-0DTXSID60609275AKOS015850115ethyl4-chloro-1,8-naphthyridine-3-carboxylate1,8-Naphthyridine-3-carboxylic acid, 4-chloro-, ethyl ester
Database identifiers
- CAS
944709-62-0- PubChem CID
- 20653232
- DTXSID
DTXSID60609275
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 338.1 · 338.1±37.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 1.17 · 1.17±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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