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286007-27-0 | Pyridine, 3-bromo-5-(3-thienyl)-
CAS No: 286007-27-0 Catalog No: AG002VUC MDL No:MFCD09029670
Product Description
Catalog Number:
AG002VUC
Chemical Name:
Pyridine, 3-bromo-5-(3-thienyl)-
CAS Number:
286007-27-0
Molecular Formula:
C9H6BrNS
Molecular Weight:
240.1196
MDL Number:
MFCD09029670
IUPAC Name:
3-bromo-5-thiophen-3-ylpyridine
InChI:
InChI=1S/C9H6BrNS/c10-9-3-8(4-11-5-9)7-1-2-12-6-7/h1-6H
InChI Key:
IYAGRWHFCHXMGZ-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)c1cscc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.118g/mol
Monoisotopic Mass:
238.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 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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