Ethyl 2-[1-(6-chloropyridin-2-yl)-1,2,4-triazol-3-yl]acetate
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Basic information
- CAS
320419-39-4- Standard SMILES
CCOC(=O)Cc1ncn(-c2cccc(Cl)n2)n1- InChIKey
HLSAPUMTGJCDHP-UHFFFAOYSA-N- Molecular formula
- C11H11ClN4O2
- Average molar mass
- 266.68 g/mol
- Monoisotopic mass
- 266.0570533
Names & identifiers
- Preferred name
- Ethyl 2-[1-(6-chloropyridin-2-yl)-1,2,4-triazol-3-yl]acetate
- IUPAC
- ethyl 2-[1-(6-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]acetate
- English name
- ethyl 2-(1-(6-chloropyridin-2-yl)-1H-1,2,4-triazol-3-yl)acetate
- Molecular formula
- C11H11ClN4O2
- Molecular weight
- 266.68
Names & synonyms
320419-39-4ethyl 2-[1-(6-chloropyridin-2-yl)-1,2,4-triazol-3-yl]acetateethyl 2-(1-(6-chloropyridin-2-yl)-1H-1,2,4-triazol-3-yl)acetateDTXSID20363280ethyl [1-(6-chloropyridin-2-yl)-1H-1,2,4-triazol-3-yl]acetateethyl2-(1-(6-chloropyridin-2-yl)-1H-1,2,4-triazol-3-yl)acetateHLSAPUMTGJCDHP-UHFFFAOYSA-N1H-1,2,4-Triazole-3-acetic acid, 1-(6-chloro-2-pyridinyl)-, ethyl ester1-(6-Chloro-Pyridin-2-Yl)-1H-[1,2,4]Triazol-3-Yl]-Acetic Acid Ethyl Ester
Database identifiers
- CAS
320419-39-4- PubChem CID
- 1483531
- DTXSID
DTXSID20363280
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 460.8 · 460.8±55.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 0.48 · 0.48±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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