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Home > Pyridines > 1000340-48-6
1000340-48-6 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 3-formyl-
CAS No: 1000340-48-6 Catalog No: AG0000DM MDL No:
Product Description
Catalog Number:
AG0000DM
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 3-formyl-
CAS Number:
1000340-48-6
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
IUPAC Name:
3-formyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C9H5N3O/c10-3-6-1-2-11-9-8(6)7(5-13)4-12-9/h1-2,4-5H,(H,11,12)
InChI Key:
VNBJUECAQIIQLQ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(C#N)ccn2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.159g/mol
Monoisotopic Mass:
171.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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