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1190322-57-6 | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-amino-
CAS No: 1190322-57-6 Catalog No: AG000I1K MDL No:
Product Description
Catalog Number:
AG000I1K
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-amino-
CAS Number:
1190322-57-6
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
IUPAC Name:
3-amino-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C8H6N4/c9-2-5-1-6-7(10)4-12-8(6)11-3-5/h1,3-4H,10H2,(H,11,12)
InChI Key:
LHXRZTCZVJBWOP-UHFFFAOYSA-N
SMILES:
Nc1c[nH]c2c1cc(cn2)C#N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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