1H-Indazole-5-carboxylic acid - CAS 61700-61-6
Catalog: |
BB031229 |
Product Name: |
1H-Indazole-5-carboxylic acid |
CAS: |
61700-61-6 |
Synonyms: |
2H-Indazole-5-carboxylic acid; Indazole-5-carboxylic acid; 5-Indazolecarboxylic acid |
IUPAC Name: | 1H-indazole-5-carboxylic acid |
Description: | 1H-Indazole-5-carboxylic acid (CAS# 61700-61-6) is used as a reactant in the synthesis of azabicyclic aryl amides as α7 nicotinic acetylcholine receptor agonists. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)O)C=NN2 |
InChI: | InChI=1S/C8H6N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h1-4H,(H,9,10)(H,11,12) |
InChI Key: | MAVGBUDLHOOROM-UHFFFAOYSA-N |
Boiling Point: | 443.7±18.0°C at 760 mmHg |
Melting Point: | >250°C |
Purity: | ≥95% |
Density: | 1.506±0.06 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | Yellow to Amber Spherical Beads |
Storage: | Store at RT |
MDL: | MFCD06804570 |
LogP: | 2.06310 |
GHS Hazard Statement: | H315 (15.56%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112300134-A | ASK1 inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 20201030 |
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PMID | Publication Date | Title | Journal |
23093288 | 20121207 | Hysteretic carbon dioxide sorption in a novel copper(II)-indazole-carboxylate porous coordination polymer | Chemical communications (Cambridge, England) |
19327988 | 20090415 | 1-(5-Carboxyindol-1-yl)propan-2-ones as inhibitors of human cytosolic phospholipase A2alpha: synthesis and properties of bioisosteric benzimidazole, benzotriazole and indazole analogues | Bioorganic & medicinal chemistry letters |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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