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Home > Imidazoles > 51746-85-1
51746-85-1 | Pyridine, 3-(1H-imidazol-4-yl)-
CAS No: 51746-85-1 Catalog No: AG00I98Z MDL No:MFCD01691712
Product Description
Catalog Number:
AG00I98Z
Chemical Name:
Pyridine, 3-(1H-imidazol-4-yl)-
CAS Number:
51746-85-1
Molecular Formula:
C8H7N3
Molecular Weight:
145.1613
MDL Number:
MFCD01691712
IUPAC Name:
3-(1H-imidazol-5-yl)pyridine
InChI:
InChI=1S/C8H7N3/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H,(H,10,11)
InChI Key:
YFOKBFRTGLSZLU-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)c1c[nH]cn1
EC Number:
610-720-2
Properties
Complexity:
127
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 |
|---|---|
| Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase. | Journal of medicinal chemistry 20080828 |
| Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization. | Journal of medicinal chemistry 20061130 |
| 5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6. | Journal of medicinal chemistry 20050113 |
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