Home Nitriles 2-(cyclopentylamino)nicotinonitrile

2-(cyclopentylamino)nicotinonitrile

CAS No.:
945347-52-4
Catalog Number:
AG00J93S
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
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Product Description
Catalog Number:
AG00J93S
Chemical Name:
2-(cyclopentylamino)nicotinonitrile
CAS Number:
945347-52-4
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD09455269
IUPAC Name:
2-(cyclopentylamino)pyridine-3-carbonitrile
InChI:
InChI=1S/C11H13N3/c12-8-9-4-3-7-13-11(9)14-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6H2,(H,13,14)
InChI Key:
MLXRNSZZOUYFMZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1NC1CCCC1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties