Methyl 2-Chloro-5-fluoro-6-methoxynicotinate - CAS 959616-64-9
Catalog: |
BB041920 |
Product Name: |
Methyl 2-Chloro-5-fluoro-6-methoxynicotinate |
CAS: |
959616-64-9 |
Synonyms: |
2-chloro-5-fluoro-6-methoxy-3-pyridinecarboxylic acid methyl ester; methyl 2-chloro-5-fluoro-6-methoxypyridine-3-carboxylate |
IUPAC Name: | methyl 2-chloro-5-fluoro-6-methoxypyridine-3-carboxylate |
Description: | Methyl 2-Chloro-5-fluoro-6-methoxynicotinate (CAS# 959616-64-9) is a useful research chemical. |
Molecular Weight: | 219.60 |
Molecular Formula: | C8H7ClFNO3 |
Canonical SMILES: | COC1=C(C=C(C(=N1)Cl)C(=O)OC)F |
InChI: | InChI=1S/C8H7ClFNO3/c1-13-7-5(10)3-4(6(9)11-7)8(12)14-2/h3H,1-2H3 |
InChI Key: | KGWMUWXJNVKKCF-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD12025844 |
LogP: | 1.66930 |
Publication Number | Title | Priority Date |
WO-2021052499-A1 | Fused pyridone compound, and preparation method therefor and use thereof | 20190920 |
WO-2020261114-A1 | 2,3-dihydroquinazolin compounds as nav1.8 inhibitors | 20190627 |
WO-2020014246-A1 | Pyridine carboxamide compounds for inhibiting nav1.8 | 20180709 |
AU-2019301628-A1 | Pyridine carboxamide compounds for inhibiting NaV1.8 | 20180709 |
CN-112689633-A | For inhibiting Nav1.8 pyridine carboxamide Compounds | 20180709 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.0098489 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.0098489 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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