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89054-96-6 | 4-Pyridinecarboxamide, 2-cyano-5-methoxy-
CAS No: 89054-96-6 Catalog No: AG0041DN MDL No:
Product Description
Catalog Number:
AG0041DN
Chemical Name:
4-Pyridinecarboxamide, 2-cyano-5-methoxy-
CAS Number:
89054-96-6
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
2-cyano-5-methoxypyridine-4-carboxamide
InChI:
InChI=1S/C8H7N3O2/c1-13-7-4-11-5(3-9)2-6(7)8(10)12/h2,4H,1H3,(H2,10,12)
InChI Key:
PVNRLTHNAFXWPW-UHFFFAOYSA-N
SMILES:
COc1cnc(cc1C(=O)N)C#N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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