| CAS Number | 1330750-20-3 |
| Catalog Number | AG00146T(AGN-PC-0AC0Y9) |
| Chemical Name | Methyl 6-amino-3-(3-cyanophenyl)pyridine-2-carboxylate |
| IUPAC Name | methyl 6-amino-3-(3-cyanophenyl)pyridine-2-carboxylate |
| InChI | InChI=1S/C14H11N3O2/c1-19-14(18)13-11(5-6-12(16)17-13)10-4-2-3-9(7-10)8-15/h2-7H,1H3,(H2,16,17) |
| InChI Key | ABJMOCXATICDBY-UHFFFAOYSA-N |
| MDL Number | MFCD19981557 |
| Molecular Formula | C14H11N3O2 |
| Molecular Weight | 253.2560 |
| SMILES | N#Cc1cccc(c1)c1ccc(nc1C(=O)OC)N |
| Synonyms | 1330750-20-3,
Methyl 6-amino-3-(3-cyanophenyl)picolinate,
Methyl 6-amino-3-(3-cyanophenyl)pyridine-2-carboxylate,
ACMC-209bqr,
CTK8B0159,
DTXSID90716562,
ANW-19489,
ZINC74938270,
AKOS015892217,
AX8229967,
ST2407292,
TC-108234,
Z9669,
B-7125,
2-Pyridinecarboxylic acid, 6-amino-3-(3-cyanophenyl)-, methyl ester,
C14H11N3O2,
Methyl6-amino-3-(3-cyanophenyl)picolinate,
AJ-121540,
I02-3527,
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| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.085127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.26g/mol |
| Monoisotopic Mass | 253.085127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89Ų |
| 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