Basic information
- CAS
731839-63-7- Standard SMILES
CC1CC1C(=O)OCC(=O)Nc1ccc(Cl)cn1- InChIKey
IOZRUEXHMIWOCW-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O3
- Average molar mass
- 268.69 g/mol
- Monoisotopic mass
- 268.06147
Names & identifiers
- Preferred name
- [2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
- IUPAC
- [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
Names & synonyms
[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylateMLS002248203CHEMBL1732146DTXSID401329855HMS3068M04AKOS033627033731839-63-7SMR001315681Z185077472-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-methylcyclopropane-1-carboxylate
Database identifiers
- CAS
731839-63-7- PubChem CID
- 3909192
- DTXSID
DTXSID401329855- ChEMBL
CHEMBL1732146
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
Solubility27.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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