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4414-89-5 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile
CAS No: 4414-89-5 Catalog No: AG003EEV MDL No:MFCD07778359
Product Description
Catalog Number:
AG003EEV
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile
CAS Number:
4414-89-5
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
MDL Number:
MFCD07778359
IUPAC Name:
1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C8H5N3/c9-4-6-5-11-8-7(6)2-1-3-10-8/h1-3,5H,(H,10,11)
InChI Key:
MUCWDACENIACBH-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1cccn2
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 |
| Water-catalyzed excited-state double proton transfer in 3-cyano-7-azaindole: the resolution of the proton-transfer mechanism for 7-azaindoles in pure water. | Journal of the American Chemical Society 20010418 |
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