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517918-95-5

517918-95-5 | 1H-Pyrrolo[2,3-B]Pyridine-5-Carbonitrile

CAS No: 517918-95-5 Catalog No: AG0032S3 MDL No:MFCD06659684

Product Description

Catalog Number:
AG0032S3
Chemical Name:
1H-Pyrrolo[2,3-B]Pyridine-5-Carbonitrile
CAS Number:
517918-95-5
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
MDL Number:
MFCD06659684
IUPAC Name:
1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C8H5N3/c9-4-6-3-7-1-2-10-8(7)11-5-6/h1-3,5H,(H,10,11)
InChI Key:
DRAQIXNADYAISI-UHFFFAOYSA-N
SMILES:
c1c(cnc2c1cc[nH]2)C#N

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
143.149g/mol
Monoisotopic Mass:
143.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Literature

Title Journal
Cyano analogues of 7-azaindole: probing excited-state charge-coupled proton transfer reactions in protic solvents. Chemphyschem : a European journal of chemical physics and physical chemistry 20081024

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