| CAS Number | 1314902-70-9 |
| Catalog Number | AG01FR55(AGN-PC-3H5PH1) |
| Chemical Name | 3-Amino-6-methoxypicolinonitrile |
| IUPAC Name | 3-amino-6-methoxypyridine-2-carbonitrile |
| InChI | InChI=1S/C7H7N3O/c1-11-7-3-2-5(9)6(4-8)10-7/h2-3H,9H2,1H3 |
| InChI Key | HUBMXNXIOYLHJW-UHFFFAOYSA-N |
| MDL Number | MFCD07780779 |
| Molecular Formula | C7H7N3O |
| Molecular Weight | 149.1500 |
| SMILES | N#CC1=NC(OC)=CC=C1N |
| Synonyms | 3-amino-6-methoxypicolinonitrile,
1314902-70-9,
2-Pyridinecarbonitrile, 3-amino-6-methoxy-,
SCHEMBL621663,
HUBMXNXIOYLHJW-UHFFFAOYSA-N,
AKOS006287113,
DB-105352,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.058912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.15g/mol |
| Monoisotopic Mass | 149.058912g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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