5-(Trifluoromethyl)-2-(3-((6-(trifluoromethyl)pyridin-2-yl)oxy)azetidin-1-yl)nicotinic acid

HCID 86697877
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Basic information

Standard SMILES
O=C(O)c1cc(C(F)(F)F)cnc1N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIKey
GILAIFDHCQZPHE-UHFFFAOYSA-N
Molecular formula
C16H11F6N3O3
Average molar mass
407.27 g/mol
Monoisotopic mass
407.07046019

Names & identifiers

Preferred name
5-(Trifluoromethyl)-2-(3-((6-(trifluoromethyl)pyridin-2-yl)oxy)azetidin-1-yl)nicotinic acid
IUPAC
5-(trifluoromethyl)-2-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]pyridine-3-carboxylic acid

Names & synonyms

5-(trifluoromethyl)-2-(3-((6-(trifluoromethyl)pyridin-2-yl)oxy)azetidin-1-yl)nicotinic acidSCHEMBL9900022

Database identifiers

PubChem CID
86697877

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
75.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
12
Rotatable bonds
4
Heavy atoms
28

Related reactions

2 records
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Linked notes

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