| CAS Number | 1196157-56-8 |
| Catalog Number | AG00949N(AGN-PC-0WA63H) |
| Chemical Name | 2-Amino-5-phenylnicotinic acid |
| IUPAC Name | 2-amino-5-phenylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H10N2O2/c13-11-10(12(15)16)6-9(7-14-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16) |
| InChI Key | VYIQVVNTIQFCGW-UHFFFAOYSA-N |
| MDL Number | MFCD13190115 |
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.2200 |
| SMILES | NC1=C(C(O)=O)C=C(C2=CC=CC=C2)C=N1 |
| Synonyms | 2-AMINO-5-PHENYLNICOTINIC ACID,
1196157-56-8,
DTXSID80624804,
MFCD13190115,
ZINC47207263,
AKOS022863560,
AB69789,
Z8108,
2-AMINO-5-PHENYL-3-PYRIDINECARBOXYLIC ACID,
2-AMINO-5-PHENYLPYRIDINE-3-CARBOXYLIC ACID,
C12H10N2O2,
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| Complexity | 251 |
| 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 | 2.2 |
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Certificate of Analysis
Lot Number