2-chloropyrimidine-5-carboxylic acid - CAS 374068-01-6
Catalog: |
BB023276 |
Product Name: |
2-chloropyrimidine-5-carboxylic acid |
CAS: |
374068-01-6 |
Synonyms: |
2-chloro-5-pyrimidinecarboxylic acid; 2-chloropyrimidine-5-carboxylic acid |
IUPAC Name: | 2-chloropyrimidine-5-carboxylic acid |
Description: | 2-chloropyrimidine-5-carboxylic acid (CAS# 374068-01-6) is a compound involved in the synthesis of novel (6-aminopyridin-3-yl)(4-(pyridin-2-yl)piperazin-1-yl) methanone derivatives as TRPV4 antagonists for the treatment of pain. |
Molecular Weight: | 158.54 |
Molecular Formula: | C5H3ClN2O2 |
Canonical SMILES: | C1=C(C=NC(=N1)Cl)C(=O)O |
InChI: | InChI=1S/C5H3ClN2O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10) |
InChI Key: | DUCXUPKLVVSJKA-UHFFFAOYSA-N |
Boiling Point: | 411.407 ℃ at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.58 g/cm3  |
MDL: | MFCD06739036 |
LogP: | 0.82820 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113512004-A | Synthetic method of 2-fluoro-5-trifluoromethylpyrimidine | 20210722 |
WO-2021209055-A1 | Imidazolinone derivative and use thereof in medicine | 20200417 |
WO-2021158698-A1 | Muscarinic receptor 4 antagonists and methods of use | 20200205 |
WO-2021115375-A1 | Nitrogen-containing heterocyclic autotaxin inhibitor, and composition containing same and use thereof | 20191211 |
US-10836749-B1 | Substituted quinoline-8-carbonitrile derivatives having androgen receptor degradation activity and uses thereof | 20190923 |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.9883050 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.9883050 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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