Indolizine-2-carboxylic Acid - CAS 3189-48-8
Catalog: |
BB021090 |
Product Name: |
Indolizine-2-carboxylic Acid |
CAS: |
3189-48-8 |
Synonyms: |
2-indolizinecarboxylic acid; indolizine-2-carboxylic acid |
IUPAC Name: | indolizine-2-carboxylic acid |
Description: | Indolizine-2-carboxylic Acid (CAS# 3189-48-8) is used to prepare acylaminophenyloxazoles as inosine monophosphate dehydrogenase inhibitors. It is also used to synthesize indolizine-2-carboxamides as potential HIV-1 protease inhibitors. |
Molecular Weight: | 161.16 |
Molecular Formula: | C9H7NO2 |
Canonical SMILES: | C1=CC2=CC(=CN2C=C1)C(=O)O |
InChI: | InChI=1S/C9H7NO2/c11-9(12)7-5-8-3-1-2-4-10(8)6-7/h1-6H,(H,11,12) |
InChI Key: | QSJHENXHFPTGKD-UHFFFAOYSA-N |
Density: | 1.28 g/cm3 |
MDL: | MFCD00266289 |
LogP: | 1.63750 |
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 |
WO-2020221811-A1 | Novel oxalyl piperazines active against the hepatitis b virus (hbv) | 20190430 |
WO-2020221824-A1 | Novel indolizine-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
EP-3831811-A1 | Heterocyclic compound | 20180731 |
AU-2018360857-A1 | Modulators of the integrated stress pathway | 20171102 |
WO-2019090076-A1 | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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