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1261627-31-9 | 1H-pyrrolo[2,3-b]pyridine-2-carbonitrile
CAS No: 1261627-31-9 Catalog No: AG000RW0 MDL No:
Product Description
Catalog Number:
AG000RW0
Chemical Name:
1H-pyrrolo[2,3-b]pyridine-2-carbonitrile
CAS Number:
1261627-31-9
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
IUPAC Name:
1H-pyrrolo[2,3-b]pyridine-2-carbonitrile
InChI:
InChI=1S/C8H5N3/c9-5-7-4-6-2-1-3-10-8(6)11-7/h1-4H,(H,10,11)
InChI Key:
WUCAGAAOOWHUCS-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c([nH]1)nccc2
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:
1.4
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