| CAS Number | 1523570-93-5 |
| Catalog Number | AG00HXZK(AGN-PC-0WBSNQ) |
| Chemical Name | 6-Methyl-5-nitro-pyridine-3-carboxylic acid |
| IUPAC Name | 6-methyl-5-nitropyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6N2O4/c1-4-6(9(12)13)2-5(3-8-4)7(10)11/h2-3H,1H3,(H,10,11) |
| InChI Key | GEVUGWURIMZLKE-UHFFFAOYSA-N |
| MDL Number | MFCD27986954 |
| Molecular Formula | C7H6N2O4 |
| Molecular Weight | 182.1335 |
| SMILES | CC1=NC=C(C(=O)O)C=C1[N+](=O)[O-] |
| Synonyms | 6-Methyl-5-nitronicotinic acid,
1523570-93-5,
6-methyl-5-nitropyridine-3-carboxylic acid,
6-Methyl-5-nitro-pyridine-3-carboxylic acid,
SCHEMBL10182432,
KS-000004FB,
MFCD27986954,
ZINC96372373,
AKOS025290952,
FCH2515770,
SB11536,
AK170971,
AS-33982,
6-Methyl-5-nitronicotinic acid, AldrichCPR,
CS-0050163,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.135g/mol |
| Monoisotopic Mass | 182.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number