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10177-10-3,MFCD00231610
Catalog No.:AA0005DF
10177-10-3 | 2-Chloro-5-phenylnicotinonitrile
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0005DF
Chemical Name:
2-Chloro-5-phenylnicotinonitrile
CAS Number:
10177-10-3
Molecular Formula:
C12H7ClN2
Molecular Weight:
214.6504
MDL Number:
MFCD00231610
IUPAC Name:
2-chloro-5-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C12H7ClN2/c13-12-10(7-14)6-11(8-15-12)9-4-2-1-3-5-9/h1-6,8H
InChI Key:
DBOYDCQWVLJOJG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cnc1Cl)c1ccccc1
Properties
Computed Properties
 
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.652g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
2-chloro-5-phenylnicotinonitrile 
10177-10-3 
3-Pyridinecarbonitrile, 2-chloro-5-phenyl- 
MLS000325776 
AC1MC979 
SCHEMBL3514735 
CHEMBL1504742 
CTK0I4233 
DTXSID20377266 
DBOYDCQWVLJOJG-UHFFFAOYSA-N 
HMS2442I21 
ZINC169455 
2-chloro-5-phenylpyridine-3-carbonitrile 
KS-00001XK0 
7438AC 
SBB055616 
AKOS002670238 
5J-410S 
MCULE-1698975037 
RP12447 
AJ-17168 
ZB009080 
TR-000427 
2-chloro-3-cyano-5-phenylpyridine 
FT-0680450 
ST50827651 
C-4104 
J-508883 
I14-28191 
C12H7ClN2 
CID2764043 
MFCD00231610 
2-Chloro-5-phenyl-pyridine-3-carbonitrile 
ACMC-20anyy 
SMR000169755 
AC1Q3KTD 
chlorophenylnicotinonitrile 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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