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10176-63-3,MFCD00231559
Catalog No.:AA0005CQ
10176-63-3 | 2-Chloro-6-methyl-5-phenylnicotinonitrile
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0005CQ
Chemical Name:
2-Chloro-6-methyl-5-phenylnicotinonitrile
CAS Number:
10176-63-3
Molecular Formula:
C13H9ClN2
Molecular Weight:
228.6770
MDL Number:
MFCD00231559
IUPAC Name:
2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C13H9ClN2/c1-9-12(10-5-3-2-4-6-10)7-11(8-15)13(14)16-9/h2-7H,1H3
InChI Key:
IKKNXDBSPNSUOA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c2ccccc2)c(nc1Cl)C
Properties
Computed Properties
 
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.045g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.679g/mol
Monoisotopic Mass:
228.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Synonyms
 
2-chloro-6-methyl-5-phenylnicotinonitrile 
10176-63-3 
SCHEMBL7284448 
CHEMBL1541004 
BDBM56473 
cid_1476365 
CTK0G8004 
KS-00001WIO 
DTXSID50363096 
IKKNXDBSPNSUOA-UHFFFAOYSA-N 
HMS1366G05 
HMS2402K04 
2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile 
ZINC1388572 
MFCD00231559 
AKOS005090622 
4J-404S 
MCULE-6293654452 
2-chloro-3-cyano-6-methyl-5-phenylpyridine 
2-chloro-6-methyl-5-phenyl-3-pyridinecarbonitrile 
2-chloranyl-6-methyl-5-phenyl-pyridine-3-carbonitrile 
ZINC01388572 
CID1476365 
2-Chloro-6-methyl-5-phenyl-nicotinonitrile 
MLS000325815 
SMR000169749 
3-Pyridinecarbonitrile, 2-chloro-6-methyl-5-phenyl- 
AC1LRRKO 
AC1Q2EBY 
Bionet2_000841 
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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