| CAS Number | 99075-99-7 |
| Catalog Number | AG01A4WT(AGN-PC-0WO1WQ) |
| Chemical Name | 2-hydroxy-6-(2-methylpropyl)pyridine-4-carboxylic acid |
| IUPAC Name | 2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxylic acid |
| InChI | InChI=1S/C10H13NO3/c1-6(2)3-8-4-7(10(13)14)5-9(12)11-8/h4-6H,3H2,1-2H3,(H,11,12)(H,13,14) |
| InChI Key | QQAKUTQSHWHIMV-UHFFFAOYSA-N |
| MDL Number | MFCD20642182 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CC(CC1=NC(O)=CC(C(O)=O)=C1)C |
| Synonyms | 2-hydroxy-6-(2-methylpropyl)pyridine-4-carboxylic acid,
99075-99-7,
2-Hydroxy-6-isobutylisonicotinic acid,
6-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid,
BBL033321,
STL373126,
STL521602,
ZINC74245245,
AKOS015997381,
AKOS024069395,
MCULE-1029640353,
NE32003,
6-isobutyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid,
Z1623872182,
2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxylic acid,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number