| CAS Number | 115891-18-4 |
| Catalog Number | AG000H2E(AGN-PC-000R92) |
| Chemical Name | Ethyl 2-(phenylamino)nicotinate |
| IUPAC Name | ethyl 2-anilinopyridine-3-carboxylate |
| InChI | InChI=1S/C14H14N2O2/c1-2-18-14(17)12-9-6-10-15-13(12)16-11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,15,16) |
| InChI Key | GEKGMJRAYIKWAR-UHFFFAOYSA-N |
| MDL Number | MFCD25542417 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.2732 |
| SMILES | C1(=CC=CC=C1)NC1=C(C(=O)OCC)C=CC=N1 |
| Synonyms | 115891-18-4,
Ethyl 2-(phenylamino)nicotinate,
3-PYRIDINECARBOXYLIC ACID, 2-(PHENYLAMINO)-, ETHYL ESTER,
Ethyl 2-anilinopyridine-3-carboxylate,
SCHEMBL11833609,
DTXSID00557589,
MFCD25542417,
ZINC34252801,
AJ-87656,
AK143028,
AS-42114,
AB0081790,
AX8282588,
ethyl 2-(phenylamino)pyridine-3-carboxylate,
2-Phenylaminopyridine-3-carboxylic acid ethyl ester,
2-(Phenylamino)-3-pyridinecarboxylic acid ethyl ester,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.278g/mol |
| Monoisotopic Mass | 242.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number