4-(3-(5-Chloropyridin-3-yl)isoxazol-5-yl)benzonitrile

HCID 44545540
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(-c2cc(-c3cncc(Cl)c3)no2)cc1
InChIKey
SKIMHBPNPPDYTO-UHFFFAOYSA-N
Molecular formula
C15H8ClN3O
Average molar mass
281.69 g/mol

Names & identifiers

Preferred name
4-(3-(5-Chloropyridin-3-yl)isoxazol-5-yl)benzonitrile
IUPAC
4-[3-(5-chloro-3-pyridinyl)-1,2-oxazol-5-yl]benzonitrile

Names & synonyms

SCHEMBL4324696SKIMHBPNPPDYTO-UHFFFAOYSA-N4-(3-(5-Chloropyridin-3-yl)isoxazol-5-yl)benzonitrile

Database identifiers

PubChem CID
44545540

Properties

Computed structural properties

XLogP
3
Topological polar surface area
62.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

Loading…