Home Nitriles 4-[(pyridin-4-yl)amino]benzonitrile

4-[(pyridin-4-yl)amino]benzonitrile

CAS No.:
319016-09-6
Catalog Number:
AG01B58G
Molecular Formula:
C12H9N3
Molecular Weight:
195.2200
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Product Description
Catalog Number:
AG01B58G
Chemical Name:
4-[(pyridin-4-yl)amino]benzonitrile
CAS Number:
319016-09-6
Molecular Formula:
C12H9N3
Molecular Weight:
195.2200
MDL Number:
MFCD24556566
IUPAC Name:
4-(pyridin-4-ylamino)benzonitrile
InChI:
InChI=1S/C12H9N3/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-8H,(H,14,15)
InChI Key:
SIXJSNRPFGHLTB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Nc1ccncc1
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.225g/mol
Monoisotopic Mass:
195.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties