| CAS Number | 911468-31-0 |
| Catalog Number | AG01BTPD |
| Chemical Name | 1-Methyl-3-(pyridin-4-yl)-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 2-methyl-5-pyridin-4-ylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H9N3O2/c1-13-9(10(14)15)6-8(12-13)7-2-4-11-5-3-7/h2-6H,1H3,(H,14,15) |
| InChI Key | AIAACORTNIPHEO-UHFFFAOYSA-N |
| MDL Number | MFCD17193927 |
| Molecular Formula | C10H9N3O2 |
| Molecular Weight | 203.1974 |
| SMILES | CN1C(C(O)=O)=CC(C2=CC=NC=C2)=N1 |
| Synonyms | 1-methyl-3-(pyridin-4-yl)-1H-pyrazole-5-carboxylic acid,
911468-31-0,
ZINC77606198,
AKOS022671635,
F1967-0107,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.201g/mol |
| Monoisotopic Mass | 203.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number