| CAS Number | 1055971-67-9 |
| Catalog Number | AG01AGWN(AGN-PC-0WOBIF) |
| Chemical Name | 5-(1-Methyl-1h-pyrazol-4-yl)pyridine-3-carboxylic acid |
| IUPAC Name | 5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H9N3O2/c1-13-6-9(5-12-13)7-2-8(10(14)15)4-11-3-7/h2-6H,1H3,(H,14,15) |
| InChI Key | UABQBYRTVXIXHV-UHFFFAOYSA-N |
| MDL Number | MFCD14688041 |
| Molecular Formula | C10H9N3O2 |
| Molecular Weight | 203.1974 |
| SMILES | O=C(C1=CC(C2=CN(C)N=C2)=CN=C1)O |
| Synonyms | 5-(1-methyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid,
1055971-67-9,
AC1Q3YSN,
ZINC42325550,
AKOS008149464,
MCULE-7073084937,
NE54362,
EN300-73059,
F2167-3021,
Z1259273264,
|
| Complexity | 247 |
| 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 | 0.3 |
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Certificate of Analysis
Lot Number