| CAS Number | 890092-44-1 |
| Catalog Number | AG018B8B(AGN-PC-0WBQ4S) |
| Chemical Name | 5-Amino-4-methylnicotinic acid |
| IUPAC Name | 5-amino-4-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-9-3-6(4)8/h2-3H,8H2,1H3,(H,10,11) |
| InChI Key | XDKILAGIFJBHEA-UHFFFAOYSA-N |
| MDL Number | MFCD07439974 |
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.1506 |
| SMILES | CC1=C(C(O)=O)C=NC=C1N |
| Synonyms | 5-Amino-4-methylnicotinic acid,
890092-44-1,
5-amino-4-methylpyridine-3-carboxylic acid,
5-Amino-4-methyl-nicotinic acid,
AC1OEP7Y,
SCHEMBL2324842,
XDKILAGIFJBHEA-UHFFFAOYSA-N,
ZINC3881109,
3079AJ,
AKOS002666157,
MCULE-6477654333,
3-Pyridinecarboxylic acid, 5-amino-4-methyl-,
L-3407,
F1957-0024,
C7H8N2O2,
CID7060677,
5-amino-4-methyl-pyridine-3-carboxylic Acid,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.153g/mol |
| Monoisotopic Mass | 152.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number