Pyrrole-2-carboxylic acid - CAS 634-97-9
Catalog: |
BB032172 |
Product Name: |
Pyrrole-2-carboxylic acid |
CAS: |
634-97-9 |
Synonyms: |
Minaline; 2-Pyrrolecarboxylic Acid |
IUPAC Name: | 1H-pyrrole-2-carboxylic acid |
Description: | Small amphoteric polar metabolite produced by many streptomyces species; An important dereplication standard in discovery, displaying a distinctive UV spectrum and a broad range of biological activities, albeit weak; Demonstrated antiparasitic activity against trypanosomes by selective proline racemase inhibition and has potent antifungal activity against phytophthora. |
Molecular Weight: | 111.10 |
Molecular Formula: | C5H5NO2 |
Canonical SMILES: | C1=CNC(=C1)C(=O)O |
InChI: | InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8) |
InChI Key: | WRHZVMBBRYBTKZ-UHFFFAOYSA-N |
Boiling Point: | 340.3 °C at 760 mmHg |
Melting Point: | 204-208 °C (dec.) (lit.) |
Purity: | > 95 % by HPLC |
Density: | 0.862 g/cm3 |
Solubility: | Soluble in ethanol, methanol, DMF, DMSO |
Appearance: | White solid |
Storage: | Store at -20 °C |
MDL: | MFCD00005219 |
LogP: | 0.71290 |
GHS Hazard Statement: | H315 (100%): 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 |
US-2016096827-A1 | Tank-binding kinase inhibitor compounds | 20140926 |
WO-2015166289-A1 | Pyrrolobenzodiazepine compounds | 20140502 |
EP-2939842-A1 | Image processing method and image processing apparatus | 20140501 |
US-2015314590-A1 | Image processing method and image processing apparatus | 20140501 |
EP-2933109-A1 | Intermediate transfer member, image-recording method, and image-recording apparatus | 20140417 |
PMID | Publication Date | Title | Journal |
29968805 | 20180703 | Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics | Scientific reports |
22975181 | 20121009 | Functionalized polypyrrole nanotube arrays as electrochemical biosensor for the determination of copper ions | Analytica chimica acta |
22537939 | 20120801 | Molecular structure, spectral studies, intra and intermolecular interactions analyses in a novel ethyl 4-[3-(2-chloro-phenyl)-acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer: A combined DFT and AIM approach | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22473092 | 20120701 | An in vivo highly antitumor-active tetrazolato-bridged dinuclear platinum(II) complex largely circumvents in vitro cisplatin resistance: two linkage isomers yield the same product upon reaction with 9-ethylguanine but exhibit different cytotoxic profiles | Metallomics : integrated biometal science |
22412460 | 20120301 | Dichloridobis(4-pyridylmethyl 1H-pyrrole-2-carboxyl-ate-κN)zinc | Acta crystallographica. Section E, Structure reports online |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.032028402 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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