Methyl 2,5-Dichloroisonicotinate - CAS 623585-74-0
Catalog: |
BB031552 |
Product Name: |
Methyl 2,5-Dichloroisonicotinate |
CAS: |
623585-74-0 |
Synonyms: |
2,5-dichloro-4-pyridinecarboxylic acid methyl ester; methyl 2,5-dichloropyridine-4-carboxylate |
IUPAC Name: | methyl 2,5-dichloropyridine-4-carboxylate |
Description: | Methyl 2,5-Dichloroisonicotinate (CAS# 623585-74-0) is a useful research chemical. |
Molecular Weight: | 206.03 |
Molecular Formula: | C7H5Cl2NO2 |
Canonical SMILES: | COC(=O)C1=CC(=NC=C1Cl)Cl |
InChI: | InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3 |
InChI Key: | OJTXNNHRMCEWAM-UHFFFAOYSA-N |
Boiling Point: | 275.2 ℃ at 760 mmHg |
Density: | 1.426 g/cm3 |
MDL: | MFCD09951944 |
LogP: | 2.17500 |
Publication Number | Title | Priority Date |
WO-2021155292-A1 | Fibroblast activation protein (fap) - targeted antifibrotic therapy | 20200131 |
WO-2021151062-A1 | Heterocyclic compounds and uses thereof | 20200124 |
WO-2021126728-A1 | Prmt5 inhibitors | 20191217 |
WO-2021126729-A1 | Prmt5 inhibitors | 20191217 |
US-2021078999-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.9697338 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.9697338 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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