Methyl 5-Chloro-2-methylnicotinate - CAS 350597-49-8
Catalog: |
BB022406 |
Product Name: |
Methyl 5-Chloro-2-methylnicotinate |
CAS: |
350597-49-8 |
Synonyms: |
5-chloro-2-methyl-3-pyridinecarboxylic acid methyl ester; methyl 5-chloro-2-methylpyridine-3-carboxylate |
IUPAC Name: | methyl 5-chloro-2-methylpyridine-3-carboxylate |
Description: | Methyl 5-Chloro-2-methylnicotinate (CAS# 350597-49-8) is a useful research chemical. |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | CC1=NC=C(C=C1C(=O)OC)Cl |
InChI: | InChI=1S/C8H8ClNO2/c1-5-7(8(11)12-2)3-6(9)4-10-5/h3-4H,1-2H3 |
InChI Key: | KYEIGXOFICMHDP-UHFFFAOYSA-N |
Boiling Point: | 233.5 °C at 760 mmHg |
Density: | 1.247 g/cm3 |
MDL: | MFCD09908061 |
LogP: | 1.83000 |
Publication Number | Title | Priority Date |
KR-20160106627-A | Therapeutic inhibitory compounds | 20131230 |
JP-2011026305-A | Pharmaceutical composition containing an imidazolecarbonyl compound | 20090624 |
WO-2010100475-A1 | Hydroxamic acid derivatives as gram-negative antibacterial agents | 20090302 |
EP-2226322-A1 | Imidazole carbonyl compound | 20071227 |
EP-2226322-B1 | Imidazole carbonyl compound | 20071227 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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