Methyl 5-chloro-2-(3-(3-fluorophenoxy)azetidin-1-yl)nicotinate

HCID 67958741
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Basic information

Standard SMILES
COC(=O)c1cc(Cl)cnc1N1CC(Oc2cccc(F)c2)C1
InChIKey
TXKDXKQKIYQOND-UHFFFAOYSA-N
Molecular formula
C16H14ClFN2O3
Average molar mass
336.74 g/mol

Names & identifiers

Preferred name
Methyl 5-chloro-2-(3-(3-fluorophenoxy)azetidin-1-yl)nicotinate
IUPAC
methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate

Names & synonyms

SCHEMBL9901508TXKDXKQKIYQOND-UHFFFAOYSA-Nmethyl 5-chloro-2-(3-(3-fluorophenoxy)azetidin-1-yl)nicotinate

Database identifiers

PubChem CID
67958741

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
51.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
23

Related reactions

1 records
New reaction record

Compound notes

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