4-Chloro-pyridine-2-carboxylic acid - CAS 5470-22-4
Catalog: |
BB028786 |
Product Name: |
4-Chloro-pyridine-2-carboxylic acid |
CAS: |
5470-22-4 |
Synonyms: |
4-chloropyridine-2-carboxylic acid |
IUPAC Name: | 4-chloropyridine-2-carboxylic acid |
Description: | 4-Chloro-pyridine-2-carboxylic acid (CAS# 5470-22-4) is a reactant used in the synthesis of VU0431316, a negative allosteric modulator of mGlu5. |
Molecular Weight: | 157.55 |
Molecular Formula: | C6H4ClNO2 |
Canonical SMILES: | C1=CN=C(C=C1Cl)C(=O)O |
InChI: | InChI=1S/C6H4ClNO2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10) |
InChI Key: | NNMYRMGMVLMQAY-UHFFFAOYSA-N |
Boiling Point: | 308 ℃ at 760 mmHg |
Melting Point: | 181 ℃ |
Flash Point: | 140.1ºC |
Purity: | 95 % |
Density: | 1.47 g/cm3 |
Storage: | Keep Cold |
MDL: | MFCD00191400 |
LogP: | 1.43320 |
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 |
CN-112409354-A | Synthesis process of 7-fluoroimidazo [1,2-A ] pyridine and intermediate thereof | 20201223 |
CN-112409354-B | Synthesis process of 7-fluoroimidazo [1,2-A ] pyridine and intermediate thereof | 20201223 |
CN-112851677-A | Synthesis method of imidazopyridine or pyrimidine derivative | 20191126 |
CN-112300133-A | Heterocyclic compound and application thereof | 20190731 |
WO-2021018226-A1 | Heterocyclic compound and application thereof | 20190731 |
PMID | Publication Date | Title | Journal |
12171402 | 20020701 | Study of the aromatic by-products formed from ozonation of anilines in aqueous solution | Water research |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.9930561 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.9930561 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Carbonyl Compounds
Pyridines
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