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28489-58-9 | 4-Pyridinecarboxamide, N-(4-pyridinylmethyl)-
CAS No: 28489-58-9 Catalog No: AG002VHT MDL No:
Product Description
Catalog Number:
AG002VHT
Chemical Name:
4-Pyridinecarboxamide, N-(4-pyridinylmethyl)-
CAS Number:
28489-58-9
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
IUPAC Name:
N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
InChI:
InChI=1S/C12H11N3O/c16-12(11-3-7-14-8-4-11)15-9-10-1-5-13-6-2-10/h1-8H,9H2,(H,15,16)
InChI Key:
AQVNQXCOBGHOPL-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)NCc1ccncc1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Pseudo-polyrotaxane and beta-sheet layer-based three-dimensional coordination polymers constructed with silver salts and flexible pyridyl-type ligands. | Inorganic chemistry 20020923 |
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