3-[2-(2-Methoxyethylamino)-6-(trifluoromethyl)pyridin-3-yl]prop-2-enoic acid

HCID 68782817
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Basic information

Standard SMILES
COCCNc1nc(C(F)(F)F)ccc1C=CC(=O)O
InChIKey
JKVOSNQWNVVYBJ-UHFFFAOYSA-N
Molecular formula
C12H13F3N2O3
Average molar mass
290.24 g/mol
Monoisotopic mass
290.08782677

Names & identifiers

Preferred name
3-[2-(2-Methoxyethylamino)-6-(trifluoromethyl)pyridin-3-yl]prop-2-enoic acid
IUPAC
3-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid

Names & synonyms

SCHEMBL3778629JKVOSNQWNVVYBJ-UHFFFAOYSA-N3-[2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridin-3-yl]prop-2-enoic acid

Database identifiers

PubChem CID
68782817

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
71.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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