Home Nitriles 2-((4-Fluorophenyl)Amino)Nicotinonitrile

2-((4-Fluorophenyl)Amino)Nicotinonitrile

CAS No.:
874754-07-1
Catalog Number:
AG00IELZ
Molecular Formula:
C12H8FN3
Molecular Weight:
213.2104
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Product Description
Catalog Number:
AG00IELZ
Chemical Name:
2-((4-Fluorophenyl)Amino)Nicotinonitrile
CAS Number:
874754-07-1
Molecular Formula:
C12H8FN3
Molecular Weight:
213.2104
MDL Number:
MFCD28680334
IUPAC Name:
2-(4-fluoroanilino)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H8FN3/c13-10-3-5-11(6-4-10)16-12-9(8-14)2-1-7-15-12/h1-7H,(H,15,16)
InChI Key:
CQPVCOCTBQRQIG-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1Nc1ccc(cc1)F
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.07g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.215g/mol
Monoisotopic Mass:
213.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties