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Home > Pyridines > 1256805-89-6
1256805-89-6 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-methyl-
CAS No: 1256805-89-6 Catalog No: AG000ODX MDL No:
Product Description
Catalog Number:
AG000ODX
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-methyl-
CAS Number:
1256805-89-6
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
IUPAC Name:
5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C9H7N3/c1-6-2-8-7(3-10)5-12-9(8)11-4-6/h2,4-5H,1H3,(H,11,12)
InChI Key:
SCDAWQXIEIXTNQ-UHFFFAOYSA-N
SMILES:
Cc1cc2c(c[nH]c2nc1)C#N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/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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