| CAS Number | 68707-72-2 |
| Catalog Number | AG01C2K5(AGN-PC-0OGMGC) |
| Chemical Name | 2,3-Dimethyl-5-nitropyridin-4-ol |
| IUPAC Name | 2,3-dimethyl-5-nitro-1H-pyridin-4-one |
| InChI | InChI=1S/C7H8N2O3/c1-4-5(2)8-3-6(7(4)10)9(11)12/h3H,1-2H3,(H,8,10) |
| InChI Key | WFKHHAYANCSHGZ-UHFFFAOYSA-N |
| MDL Number | MFCD18803386 |
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.1500 |
| SMILES | Cc1c(ncc(c1O)N(=O)=O)C |
| Synonyms | 2,3-dimethyl-5-nitropyridin-4-ol,
68707-72-2,
2,3-dimethyl-4-hydroxy-5-nitropyridine,
SCHEMBL3581470,
WFKHHAYANCSHGZ-UHFFFAOYSA-N,
AKOS030757600,
ZINC148990937,
2,3-dimethyl-5-nitro-1,4-dihydropyridin-4-one,
Z2301499812,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.152g/mol |
| Monoisotopic Mass | 168.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number