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1005206-16-5,MFCD17015948
Catalog No.:AA000258
1005206-16-5 | 7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile
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250mg
97%
1 week  
$223.00   $156.00
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Technical Information
Catalog Number:
AA000258
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile
CAS Number:
1005206-16-5
Molecular Formula:
C7H4N4
Molecular Weight:
144.1335
MDL Number:
MFCD17015948
IUPAC Name:
7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
InChI:
InChI=1S/C7H4N4/c8-3-6-5-1-2-9-7(5)11-4-10-6/h1-2,4H,(H,9,10,11)
InChI Key:
NEVJGNPIKVWRGX-UHFFFAOYSA-N
SMILES:
N#Cc1ncnc2c1cc[nH]2
Properties
Computed Properties
 
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.044g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.137g/mol
Monoisotopic Mass:
144.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile 
1005206-16-5 
CL3500 
MFCD17015948 
ZINC85471715 
AKOS006359525 
4-Cyano-7H-Pyrrolo[2,3-d]pyrimidine 
PB27071 
TRA0040561 
AK-83591 
CJ-22331 
DS-17233 
ACMC-2097qr 
SY007620 
AB0061568 
AJ-127815 
DB-019431 
TC-103050 
FT-0717899 
Z6286 
MFCD17015948 (95%) 
B-6224 
C7H4N4 
SCHEMBL3492520 
SCHEMBL15109735 
CTK8A8978 
KS-00000EFL 
DTXSID40717529 
NEVJGNPIKVWRGX-UHFFFAOYSA-N 
ANW-14305 
Literature
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