| CAS Number | 214758-27-7 |
| Catalog Number | AG01A8J1 |
| Chemical Name | 2-(Pyridin-3-yloxy)pyridine-3-carboxylic acid |
| IUPAC Name | 2-pyridin-3-yloxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C11H8N2O3/c14-11(15)9-4-2-6-13-10(9)16-8-3-1-5-12-7-8/h1-7H,(H,14,15) |
| InChI Key | BBOCDFBQFGUCCI-UHFFFAOYSA-N |
| MDL Number | MFCD11102531 |
| Molecular Formula | C11H8N2O3 |
| Molecular Weight | 216.1928 |
| SMILES | OC(C1=C(OC2=CN=CC=C2)N=CC=C1)=O |
| Synonyms | 2-(pyridin-3-yloxy)pyridine-3-carboxylic acid,
214758-27-7,
2-(Pyridin-3-yloxy)nicotinic acid,
AC1Q72JU,
SCHEMBL5216488,
BBOCDFBQFGUCCI-UHFFFAOYSA-N,
2-(pyridin-3-yloxy)-nicotinic acid,
ZINC34937723,
AKOS009003643,
KS-7618,
MCULE-7782140045,
NE53752,
2-(3-Pyridinyloxy)nicotinic acid AldrichCPR,
2-(3-Pyridinyloxy)nicotinic acid, AldrichCPR,
2-(Pyridin-3-yloxy)pyridine-3-carboxylicacid,
EN300-61730,
Z90130732,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.196g/mol |
| Monoisotopic Mass | 216.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number