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4-Pyridylisonicotinamide

Catalog Number
ACM64479783-1
CAS Number
64479-78-3
Product Name
4-Pyridylisonicotinamide
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
IUPAC Name
N-pyridin-4-ylpyridine-4-carboxamide
Molecular Weight
199.21g/mol
Molecular Formula
C11H9N3O
InChI
InChI=1S/C11H9N3O/c15-11(9-1-5-12-6-2-9)14-10-3-7-13-8-4-10/h1-8H,(H,13,14,15)
InChI Key
VEZNVMFOOMYSBF-UHFFFAOYSA-N
Complexity
208
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
199.074561919g/mol
Formal Charge
0
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
MeSH Entry Terms
N-(4-pyridyl)isonicotinamide
Monoisotopic Mass
199.074561919g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
54.9Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.6
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