5-(Pyrid-4-yl)-3-pyrazolecarboxylic acid - CAS 197775-45-4
Catalog: |
BB050175 |
Product Name: |
5-(Pyrid-4-yl)-3-pyrazolecarboxylic acid |
CAS: |
197775-45-4 |
Synonyms: |
5-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid; 5-Pyridin-4-yl-1H-pyrazole-3-carboxylic acid; 3-(pyridin-4-yl)-1H-pyrazole-5-carboxylic acid; 1H-Pyrazole-3-carboxylic acid, 5-(4-pyridinyl)-; 5-(4-pyridyl)pyrazole-3-carboxylic acid; 5-(Pyrid-4-yl)pyrazole-3-carboxylic acid |
IUPAC Name: | 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid |
Description: | 5-(Pyrid-4-yl)-3-pyrazolecarboxylic acid (CAS# 197775-45-4 ) is a useful research chemical. |
Molecular Weight: | 189.17 |
Molecular Formula: | C9H7N3O2 |
Canonical SMILES: | C1=CN=CC=C1C2=NNC(=C2)C(=O)O |
InChI: | InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-1-3-10-4-2-6/h1-5H,(H,11,12)(H,13,14) |
InChI Key: | PHKNKTBPYNCTGD-UHFFFAOYSA-N |
Boiling Point: | 520.2±40.0 °C (Predicted) |
Melting Point: | 328 °C (dec.) |
Purity: | ≥ 95 % |
Density: | 1.432±0.06 g/cm3 (Predicted) |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.053826475 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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