| CAS Number | 877674-90-3 |
| Catalog Number | AG004ID9(AGN-PC-09Q37P) |
| Chemical Name | 6-(Thiophen-3-YL)nicotinic acid |
| IUPAC Name | 6-thiophen-3-ylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H7NO2S/c12-10(13)7-1-2-9(11-5-7)8-3-4-14-6-8/h1-6H,(H,12,13) |
| InChI Key | IURKJCFGWINKMI-UHFFFAOYSA-N |
| MDL Number | MFCD16878903 |
| Molecular Formula | C10H7NO2S |
| Molecular Weight | 205.2331 |
| SMILES | OC(C1=CN=C(C2=CSC=C2)C=C1)=O |
| Synonyms | 6-(THIOPHEN-3-YL)NICOTINIC ACID,
877674-90-3,
3-Pyridinecarboxylicacid, 6-(3-thienyl)-,
SCHEMBL3197999,
6-thiophen-3-yl-nicotinic acid,
CTK3E6688,
DTXSID20686906,
IURKJCFGWINKMI-UHFFFAOYSA-N,
6-(thiophen-3-yl)-nicotinic acid,
MFCD16878903,
ZINC65347030,
AKOS026718591,
3-Pyridinecarboxylic acid, 6-(3-thienyl)-,
6-(Thiophen-3-yl)pyridine-3-carboxylic acid,
F2167-1005,
6-thiophen-3-ylpyridine-3-carboxylic acid,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.231g/mol |
| Monoisotopic Mass | 205.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number