2,6-Dichloropyridine-3-carboxylic acid - CAS 38496-18-3
Catalog: |
BB023691 |
Product Name: |
2,6-Dichloropyridine-3-carboxylic acid |
CAS: |
38496-18-3 |
Synonyms: |
2,6-dichloropyridine-3-carboxylic acid |
IUPAC Name: | 2,6-dichloropyridine-3-carboxylic acid |
Description: | Used for preparation of pyridine derivatives as inhibitors of human 11β hydroxysteroid dehydrogenase type 1 enzyme. |
Molecular Weight: | 192.00 |
Molecular Formula: | C6H3Cl2NO2 |
Canonical SMILES: | C1=CC(=NC(=C1C(=O)O)Cl)Cl |
InChI: | InChI=1S/C6H3Cl2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11) |
InChI Key: | AJPKQSSFYHPYMH-UHFFFAOYSA-N |
Boiling Point: | 351.2 °C at 760 mmHg |
Melting Point: | 140-146 °C |
Purity: | 95 % |
Density: | 1.612 g/cm3 |
Appearance: | Off-white to yellow solid |
MDL: | MFCD00075583 |
LogP: | 2.08660 |
GHS Hazard Statement: | H302 (83.33%): 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-112479988-A | Substituted biphenyl compound, preparation method, application and pharmaceutical composition thereof | 20201209 |
CN-112521332-A | Preparation method of 6- (tert-butylamino) -2-chloronicotinic acid | 20200924 |
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CN-213376114-U | Conveniently add in batches mixing arrangement for production of dichloro nicotinic acid of feeding | 20200728 |
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PMID | Publication Date | Title | Journal |
20839822 | 20101015 | Regioselective cross-coupling reactions of boronic acids with dihalo heterocycles | The Journal of organic chemistry |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.9540837 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.9540837 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Carbonyl Compounds
Pyridines
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