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Home > Pyridines > 217188-15-3
217188-15-3 | (5-pyrid-3-ylthien-2-yl)methanol
CAS No: 217188-15-3 Catalog No: AG01CU65 MDL No:MFCD12022275
Product Description
Catalog Number:
AG01CU65
Chemical Name:
(5-pyrid-3-ylthien-2-yl)methanol
CAS Number:
217188-15-3
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
MDL Number:
MFCD12022275
IUPAC Name:
(5-pyridin-3-ylthiophen-2-yl)methanol
InChI:
InChI=1S/C10H9NOS/c12-7-9-3-4-10(13-9)8-2-1-5-11-6-8/h1-6,12H,7H2
InChI Key:
XBSQDYZSJJZBOS-UHFFFAOYSA-N
SMILES:
OCc1ccc(s1)c1cccnc1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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