6-[3-(4-Chloro-phenyl)-isoxazol-4-ylmethoxy]-nicotinic acid

HCID 68443769
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Basic information

Standard SMILES
O=C(O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1
InChIKey
PHYDBFMOGNJSQD-UHFFFAOYSA-N
Molecular formula
C16H11ClN2O4
Average molar mass
330.72 g/mol

Names & identifiers

Preferred name
6-[3-(4-Chloro-phenyl)-isoxazol-4-ylmethoxy]-nicotinic acid
IUPAC
6-[[3-(4-chlorophenyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid

Names & synonyms

SCHEMBL2926753PHYDBFMOGNJSQD-UHFFFAOYSA-N6-[3-(4-Chloro-phenyl)-isoxazol-4-ylmethoxy]-nicotinic acid

Database identifiers

PubChem CID
68443769

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
85.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
23

Related reactions

48 records
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Linked notes

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