200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 128143-88-4
128143-88-4 | [2,2':6',2''-Terpyridin]-4'(1'H)-one
CAS No: 128143-88-4 Catalog No: AG000XTT MDL No:MFCD01321386
Product Description
Catalog Number:
AG000XTT
Chemical Name:
[2,2':6',2''-Terpyridin]-4'(1'H)-one
CAS Number:
128143-88-4
Molecular Formula:
C15H11N3O
Molecular Weight:
249.2673
MDL Number:
MFCD01321386
IUPAC Name:
2,6-dipyridin-2-yl-1H-pyridin-4-one
InChI:
InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19)
InChI Key:
HRORSVNZQWCZTD-UHFFFAOYSA-N
SMILES:
O=c1cc([nH]c(c1)c1ccccn1)c1ccccn1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.273g/mol
Monoisotopic Mass:
249.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Modulation in selectivity and allosteric properties of small-molecule ligands for CC-chemokine receptors. | Journal of medicinal chemistry 20120927 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.