| CAS Number | 1261998-84-8 |
| Catalog Number | AG000SB5(AGN-PC-09O2EU) |
| Chemical Name | 2-[Benzo(b)thiophen-2-yl]-5-hydroxypyridine |
| IUPAC Name | 6-(1-benzothiophen-2-yl)pyridin-3-ol |
| InChI | InChI=1S/C13H9NOS/c15-10-5-6-11(14-8-10)13-7-9-3-1-2-4-12(9)16-13/h1-8,15H |
| InChI Key | RTRDZUIOYHWHQF-UHFFFAOYSA-N |
| MDL Number | MFCD18323585 |
| Molecular Formula | C13H9NOS |
| Molecular Weight | 227.2817 |
| SMILES | C1=NC(C2SC3=CC=CC=C3C=2)=CC=C1O |
| Synonyms | 1261998-84-8,
6-(Benzo[b]thiophen-2-yl)pyridin-3-ol,
2-[Benzo(b)thiophen-2-yl]-5-hydroxypyridine,
6-(1-benzothiophen-2-yl)pyridin-3-ol,
ACMC-209bad,
CTK8A9899,
DTXSID30692614,
ANW-18899,
MFCD18323585,
ZINC65355896,
AKOS015892189,
3-Pyridinol, 6-benzo[b]thien-2-yl-,
AX8230632,
TC-107644,
ST24024219,
Z9296,
B-7031,
I02-3558,
C13H9NOS,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.281g/mol |
| Monoisotopic Mass | 227.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number