Ethyl 3,5-dichloro-4-cyanopyridine-2-carboxylate
Basic information
- CAS
1296172-36-5- Standard SMILES
CCOC(=O)c1ncc(Cl)c(C#N)c1Cl- InChIKey
QCDKAYLLFNQOQY-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2N2O2
- Average molar mass
- 245.06 g/mol
- Monoisotopic mass
- 243.9806328
Names & identifiers
- Preferred name
- Ethyl 3,5-dichloro-4-cyanopyridine-2-carboxylate
- IUPAC
- ethyl 3,5-dichloro-4-cyanopyridine-2-carboxylate
- English name
- Ethyl 3,5-dichloro-4-cyanopyridine-2-carboxylate
- Molecular formula
- C9H6Cl2N2O2
- Molecular weight
- 245.06
Names & synonyms
Ethyl 3,5-dichloro-4-cyanopyridine-2-carboxylate1296172-36-5Ethyl 3,5-dichloro-4-cyanopicolinateMFCD18904316CHEMBL5014090DTXSID401182564Ethyl3,5-dichloro-4-cyanopicolinateAKOS015848880DF-0712CS-0324589ethyl 3,5-dichloro-4-cyano-pyridine-2-carboxylate2-Pyridinecarboxylic acid, 3,5-dichloro-4-cyano-, ethyl ester
Database identifiers
- CAS
1296172-36-5- PubChem CID
- 56773408
- DTXSID
DTXSID401182564- ChEMBL
CHEMBL5014090
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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