| CAS Number | 889950-25-8 |
| Catalog Number | AG00IFJD(AGN-PC-02MG8Y) |
| Chemical Name | Methyl 3-(6-aminopyridin-3-yl)benzoate |
| IUPAC Name | methyl 3-(6-aminopyridin-3-yl)benzoate |
| InChI | InChI=1S/C13H12N2O2/c1-17-13(16)10-4-2-3-9(7-10)11-5-6-12(14)15-8-11/h2-8H,1H3,(H2,14,15) |
| InChI Key | CRPQWUQZQCLMOA-UHFFFAOYSA-N |
| MDL Number | MFCD06802150 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.2466 |
| SMILES | C(OC)(=O)C1=CC=CC(C2C=CC(=NC=2)N)=C1 |
| Synonyms | Methyl 3-(6-aminopyridin-3-yl)benzoate,
889950-25-8,
Methyl 3-(6-amino-3-pyridinyl)benzoate,
ACMC-209qyb,
SCHEMBL11997727,
CTK6J0446,
DTXSID50602417,
ANW-39201,
MFCD06802150,
ZINC16946532,
AKOS004116487,
AJ-69686,
CJ-15673,
AX8243323,
TC-127946,
BB 0223199,
V8756,
B-8689,
3-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID METHYL ESTER,
C13H12N2O2,
Methyl3-(6-aminopyridin-3-yl)benzoate,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.251g/mol |
| Monoisotopic Mass | 228.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number