| CAS Number | 779315-67-2 |
| Catalog Number | AG00ICWK(AGN-PC-0WOJAB) |
| Chemical Name | 3-(6-Aminopyridin-3-yl)benzoic acid |
| IUPAC Name | 3-(6-aminopyridin-3-yl)benzoic acid |
| InChI | InChI=1S/C12H10N2O2/c13-11-5-4-10(7-14-11)8-2-1-3-9(6-8)12(15)16/h1-7H,(H2,13,14)(H,15,16) |
| InChI Key | RWSYZOSQBJSZNW-UHFFFAOYSA-N |
| MDL Number | MFCD06802729 |
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.2200 |
| SMILES | C(O)(=O)C1=CC=CC(C2C=CC(=NC=2)N)=C1 |
| Synonyms | 3-(6-aminopyridin-3-yl)benzoic acid,
779315-67-2,
3-(6-Amino-3-pyridinyl)benzoic acid,
CTK7D8168,
KS-00003KOX,
MFCD06802729,
ZINC16948007,
AKOS004118877,
FS-2298,
BB0223879,
BB 0223879,
3-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.224g/mol |
| Monoisotopic Mass | 214.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number