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Home > Imidazoles > 146366-05-4
146366-05-4 | Pyridine, 4-(1H-imidazol-5-yl)-, hydrochloride (1:2)
CAS No: 146366-05-4 Catalog No: AG001DY8 MDL No:
Product Description
Catalog Number:
AG001DY8
Chemical Name:
Pyridine, 4-(1H-imidazol-5-yl)-, hydrochloride (1:2)
CAS Number:
146366-05-4
Molecular Formula:
C8H9Cl2N3
Molecular Weight:
218.0832
IUPAC Name:
4-(1H-imidazol-5-yl)pyridine
InChI:
InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1-6H,(H,10,11)
InChI Key:
AJQQGJNKKDEODG-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1cnc[nH]1.Cl.Cl
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.165g/mol
Monoisotopic Mass:
145.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition. | Journal of medicinal chemistry 20120614 |
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