3-Pyridineacetic Acid - CAS 501-81-5
Catalog: |
BB026940 |
Product Name: |
3-Pyridineacetic Acid |
CAS: |
501-81-5 |
Synonyms: |
2-(3-pyridinyl)acetic acid; 2-pyridin-3-ylacetic acid |
IUPAC Name: | 2-pyridin-3-ylacetic acid |
Description: | 3-Pyridineacetic Acid (CAS# 501-81-5) is used in the synthesis of 2-Aryl 1,2-Dihydro-4(3H)-quinazoline derivative possessing anticancer and antiparasitic activities and capable of preventing the progress of neurodegenerative diseases. |
Molecular Weight: | 137.14 |
Molecular Formula: | C7H7NO2 |
Canonical SMILES: | C1=CC(=CN=C1)CC(=O)O |
InChI: | InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10) |
InChI Key: | WGNUNYPERJMVRM-UHFFFAOYSA-N |
Boiling Point: | 301.6 °C at 760 mmHg |
Density: | 1.245 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00066302 |
LogP: | 0.70870 |
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-2021183303-A1 | Compositions and methods for naloxone delivery | 20200311 |
WO-2021154842-A1 | Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding | 20200128 |
WO-2021139775-A1 | Pyridone compound and application | 20200110 |
WO-2021132524-A1 | Epoxy azepan derivative | 20191225 |
WO-2021065898-A1 | Azepan derivative | 20190930 |
PMID | Publication Date | Title | Journal |
22058713 | 20111001 | Poly[trans-diaquabis-[μ(2)-2-(pyridin-3-yl)acetato-κN:O]-zinc] | Acta crystallographica. Section E, Structure reports online |
21561155 | 20110714 | Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies | Journal of medicinal chemistry |
21860772 | 20110701 | Limited expression of cytochrome p450 17α-hydroxylase/17,20-lyase in prostate cancer cell lines | Korean journal of urology |
20593212 | 20110401 | Instability of 2,2-di(pyridin-2-yl)acetic acid. Tautomerization versus decarboxylation | Journal of molecular modeling |
21218817 | 20110210 | Discovery of a 3-pyridylacetic acid derivative (TAK-100) as a potent, selective and orally active dipeptidyl peptidase IV (DPP-4) inhibitor | Journal of medicinal chemistry |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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Pyridines
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