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1015610-15-7,MFCD09965884
Catalog No.:AA0004Q6
1015610-15-7 | 5-Fluoro-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile
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100mg
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Technical Information
Catalog Number:
AA0004Q6
Chemical Name:
5-Fluoro-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile
CAS Number:
1015610-15-7
Molecular Formula:
C8H4FN3
Molecular Weight:
161.1359
MDL Number:
MFCD09965884
IUPAC Name:
5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C8H4FN3/c9-7-4-12-8-5(1-2-11-8)6(7)3-10/h1-2,4H,(H,11,12)
InChI Key:
OUAZJINPTDHOAR-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cnc2c1cc[nH]2
Properties
Computed Properties
 
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.139g/mol
Monoisotopic Mass:
161.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
5-Fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile 
1015610-15-7 
MFCD09965884 
ZINC14401154 
AKOS006314753 
RTR-049729 
SB14480 
VP11120 
AJ-64824 
AK-56413 
AX8188492 
DB-029531 
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 5-fluoro- 
TR-049729 
FT-0744826 
A-5840 
A800409 
5-fluoranyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile 
5-Fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, AldrichCPR 
C8H4FN3 
PubChem16588 
AC1Q4N2N 
SCHEMBL12563092 
CTK7C6539 
DTXSID40640166 
7374AC 
FCH878874 
Literature
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