Ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate

HCID 134668986

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Basic information

CAS: 1805028-10-7
Standard SMILES: CCOC(=O)c1c(OC(F)(F)F)cc(C(F)F)nc1CN
InChIKey: SUWKDNWDKVPEGF-UHFFFAOYSA-N
Molecular formula: C11H11F5N2O3
Average molar mass: 314.21 g/mol
Monoisotopic mass: 314.06898303

Names & identifiers

Preferred name: Ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
IUPAC: ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate

Names & synonyms

DTXSID701116475Ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate1805028-10-73-Pyridinecarboxylic acid, 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-, ethyl ester

Database identifiers

CAS: 1805028-10-7
PubChem CID: 134668986
DTXSID: DTXSID701116475

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 74.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 353

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