Home Nitriles 2-{4-[(5-aminopyridin-2-yl)oxy]phenyl}acetonitrile

2-{4-[(5-aminopyridin-2-yl)oxy]phenyl}acetonitrile

CAS No.:
875703-46-1
Catalog Number:
AG019MYT
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
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Product Description
Catalog Number:
AG019MYT
Chemical Name:
2-{4-[(5-aminopyridin-2-yl)oxy]phenyl}acetonitrile
CAS Number:
875703-46-1
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
MDL Number:
MFCD09740564
IUPAC Name:
2-[4-(5-aminopyridin-2-yl)oxyphenyl]acetonitrile
InChI:
InChI=1S/C13H11N3O/c14-8-7-10-1-4-12(5-2-10)17-13-6-3-11(15)9-16-13/h1-6,9H,7,15H2
InChI Key:
MDNBZMASKPMILV-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)Oc1ccc(cn1)N
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties