| CAS Number | 1256821-98-3 |
| Catalog Number | AG01FR69(AGN-PC-3H5PI1) |
| Chemical Name | 6-Amino-5-methoxynicotinonitrile |
| IUPAC Name | 6-amino-5-methoxypyridine-3-carbonitrile |
| InChI | InChI=1S/C7H7N3O/c1-11-6-2-5(3-8)4-10-7(6)9/h2,4H,1H3,(H2,9,10) |
| InChI Key | QPEKBRQHDJVOHN-UHFFFAOYSA-N |
| MDL Number | MFCD18261105 |
| Molecular Formula | C7H7N3O |
| Molecular Weight | 149.1500 |
| SMILES | NC1=NC=C(C#N)C=C1OC |
| Synonyms | 6-Amino-5-methoxynicotinonitrile,
1256821-98-3,
3-Pyridinecarbonitrile, 6-amino-5-methoxy-,
SCHEMBL14774866,
QPEKBRQHDJVOHN-UHFFFAOYSA-N,
6-amino-5-methoxy-pyridine-3-carbonitrile,
AK00786687,
|
| 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 | 0.2 |
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Certificate of Analysis
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