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Home > Imidazoles > 859238-88-3
859238-88-3 | Pyridine, 3-(1-methyl-1H-imidazol-4-yl)-
CAS No: 859238-88-3 Catalog No: AG004QME MDL No:
Product Description
Catalog Number:
AG004QME
Chemical Name:
Pyridine, 3-(1-methyl-1H-imidazol-4-yl)-
CAS Number:
859238-88-3
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
IUPAC Name:
3-(1-methylimidazol-4-yl)pyridine
InChI:
InChI=1S/C9H9N3/c1-12-6-9(11-7-12)8-3-2-4-10-5-8/h2-7H,1H3
InChI Key:
IMFKJIBLFGZFSW-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1)c1cccnc1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| 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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