Methyl 2-Chloro-6-methoxynicotinate - CAS 95652-77-0
Catalog: |
BB041794 |
Product Name: |
Methyl 2-Chloro-6-methoxynicotinate |
CAS: |
95652-77-0 |
Synonyms: |
2-chloro-6-methoxy-3-pyridinecarboxylic acid methyl ester; methyl 2-chloro-6-methoxypyridine-3-carboxylate |
IUPAC Name: | methyl 2-chloro-6-methoxypyridine-3-carboxylate |
Description: | Methyl 2-Chloro-6-methoxynicotinate (CAS# 95652-77-0) is used in preparation of Aryl-aniline and Heteroaryl-Aniline compounds useful in topical formulations for treatment of skin diseases. |
Molecular Weight: | 201.61 |
Molecular Formula: | C8H8ClNO3 |
Canonical SMILES: | COC1=NC(=C(C=C1)C(=O)OC)Cl |
InChI: | InChI=1S/C8H8ClNO3/c1-12-6-4-3-5(7(9)10-6)8(11)13-2/h3-4H,1-2H3 |
InChI Key: | WDMMBHZPESWUCL-UHFFFAOYSA-N |
Boiling Point: | 276.793 °C at 760 mmHg |
Density: | 1.288 g/cm3 |
MDL: | MFCD08275100 |
LogP: | 1.53020 |
Publication Number | Title | Priority Date |
WO-2021146370-A1 | Map4k1 inhibitors | 20200115 |
WO-2021052499-A1 | Fused pyridone compound, and preparation method therefor and use thereof | 20190920 |
WO-2020106303-A1 | Aryl-aniline and heteroaryl-aniline compounds for treatment of skin cancers | 20181120 |
WO-2020106304-A1 | Topical formulations | 20181120 |
WO-2020106307-A1 | Aryl-aniline and heteroaryl-aniline compounds for treatment of birthmarks | 20181120 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0192708 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0192708 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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