| CAS Number | 1214384-41-4 |
| Catalog Number | AG01AS45 |
| Chemical Name | 2-(pyridin-3-yl)pyridine-4-carboxylic acid |
| IUPAC Name | 2-pyridin-3-ylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C11H8N2O2/c14-11(15)8-3-5-13-10(6-8)9-2-1-4-12-7-9/h1-7H,(H,14,15) |
| InChI Key | ZGPKFTUSQWWSDH-UHFFFAOYSA-N |
| MDL Number | MFCD15476022 |
| Molecular Formula | C11H8N2O2 |
| Molecular Weight | 200.1934 |
| SMILES | OC(C1=CC(C2=CN=CC=C2)=NC=C1)=O |
| Synonyms | [2,3'-bipyridine]-4-carboxylic acid,
1214384-41-4,
SCHEMBL4251799,
2-(Pyridin-3-yl)isonicotinic acid,
2-(Pyridin-3-yl)-isonicotinic acid,
ZINC47214419,
AKOS023434486,
F2167-2478,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.197g/mol |
| Monoisotopic Mass | 200.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number