Ethyl 2-amino-6-chloropyridine-4-carboxylate
Basic information
- CAS
28056-05-5- Standard SMILES
CCOC(=O)c1cc(N)nc(Cl)c1- InChIKey
ZFTAEJJVVQTXKD-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O2
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.0352552
Names & identifiers
- Preferred name
- Ethyl 2-amino-6-chloropyridine-4-carboxylate
- IUPAC
- ethyl 2-amino-6-chloropyridine-4-carboxylate
- English name
- ethyl 2-amino-6-chloroisonicotinate
- Molecular formula
- C8H9ClN2O2
- Molecular weight
- 200.62
Names & synonyms
28056-05-5Ethyl 2-amino-6-chloropyridine-4-carboxylateDTXSID802966814-Pyridinecarboxlylic acid, 2-amino-6-chloro-, ethyl esterRefChem:342653DTXCID20247819ZFTAEJJVVQTXKD-UHFFFAOYSA-NEthyl 2-amino-6-chloroisonicotinateNSC1107792-amino-6-chloroisonicotinic acid ethyl ester2-amino-6-chloro-isonicotinic acid ethyl esterSCHEMBL2532558
Show more names
4-Pyridinecarboxylic acid, 2-amino-6-chloro-, ethyl ester
4-Pyridinecarboxylicacid, 2-amino-6-chloro-, ethyl esterEthyl2-amino-6-chloroisonicotinateEthyl 2-amino-6-chloroisonicotinate #NSC-110779DB-338086EN300-6510902
Database identifiers
- CAS
28056-05-5- PubChem CID
- 269587
- DTXSID
DTXSID80296681
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 355.4 · 355.4±37.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- 1.02 · 1.02±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
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-H312-H332
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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