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Home > Pyridines > 1256812-96-0
1256812-96-0 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-methoxy-
CAS No: 1256812-96-0 Catalog No: AG000OEE MDL No:
Product Description
Catalog Number:
AG000OEE
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-methoxy-
CAS Number:
1256812-96-0
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
IUPAC Name:
5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C9H7N3O/c1-13-7-2-8-6(3-10)4-11-9(8)12-5-7/h2,4-5H,1H3,(H,11,12)
InChI Key:
CKUKZHRTUDHXGL-UHFFFAOYSA-N
SMILES:
COc1cnc2c(c1)c(C#N)c[nH]2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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