Ethyl [6-(aminomethyl)-2-cyano-4-(difluoromethyl)pyridin-3-yl]acetate

HCID 133106901

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Basic information

CAS: 1805577-99-4
Standard SMILES: CCOC(=O)Cc1c(C(F)F)cc(CN)nc1C#N
InChIKey: XYGUFTIIULSMRQ-UHFFFAOYSA-N
Molecular formula: C12H13F2N3O2
Average molar mass: 269.25 g/mol
Monoisotopic mass: 269.09758299

Names & identifiers

Preferred name: Ethyl [6-(aminomethyl)-2-cyano-4-(difluoromethyl)pyridin-3-yl]acetate
IUPAC: ethyl 2-[6-(aminomethyl)-2-cyano-4-(difluoromethyl)-3-pyridinyl]acetate

Names & synonyms

DTXSID2011354361805577-99-4Ethyl [6-(aminomethyl)-2-cyano-4-(difluoromethyl)pyridin-3-yl]acetate3-Pyridineacetic acid, 6-(aminomethyl)-2-cyano-4-(difluoromethyl)-, ethyl ester

Database identifiers

CAS: 1805577-99-4
PubChem CID: 133106901
DTXSID: DTXSID201135436

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 89 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 356

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