| CAS Number | 860650-20-0 |
| Catalog Number | AG00INT6(AGN-PC-0WAQLK) |
| Chemical Name | 1,3-Dimethyl 2-(5-aminopyridin-2-yl)propanedioate |
| IUPAC Name | dimethyl 2-(5-aminopyridin-2-yl)propanedioate |
| InChI | InChI=1S/C10H12N2O4/c1-15-9(13)8(10(14)16-2)7-4-3-6(11)5-12-7/h3-5,8H,11H2,1-2H3 |
| InChI Key | XXNZWOBAZNZMLO-UHFFFAOYSA-N |
| MDL Number | MFCD03617770 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | O=C(OC)C(C1(=NC=C(N)C=C1))C(=O)OC |
| Synonyms | dimethyl 2-(5-amino-2-pyridinyl)malonate,
860650-20-0,
1,3-dimethyl 2-(5-aminopyridin-2-yl)propanedioate,
AC1MCFDG,
KS-00001SBY,
ZINC2509209,
AKOS005079291,
dimethyl 2-(5-aminopyridin-2-yl)propanedioate,
11T-0041,
ZINC02509209,
CID2768276,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.216g/mol |
| Monoisotopic Mass | 224.08g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number