Methyl 5-Chloronicotinate - CAS 51269-81-9
Catalog: |
BB027386 |
Product Name: |
Methyl 5-Chloronicotinate |
CAS: |
51269-81-9 |
Synonyms: |
5-chloro-3-pyridinecarboxylic acid methyl ester; methyl 5-chloropyridine-3-carboxylate |
IUPAC Name: | methyl 5-chloropyridine-3-carboxylate |
Description: | Methyl 5-Chloronicotinate (CAS# 51269-81-9) is a useful research chemical. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | COC(=O)C1=CC(=CN=C1)Cl |
InChI: | InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3 |
InChI Key: | TVUWLLCWQGXPSH-UHFFFAOYSA-N |
Boiling Point: | 230.399 ℃ at 760 mmHg |
Density: | 1.295 g/cm3 |
MDL: | MFCD09702467 |
LogP: | 1.52160 |
Publication Number | Title | Priority Date |
WO-2021163254-A1 | Heterocyclic pad4 inhibitors | 20200212 |
CN-108593818-A | A kind of measurement efficient liquid-phase chromatography method of the Nicergoline in relation to substance | 20180508 |
CN-108593818-B | High performance liquid chromatography method for measuring related substances of nicergoline | 20180508 |
CN-108341822-B | FXR receptor modulator and preparation method and application thereof | 20170123 |
WO-2017118294-A1 | Fxr receptor modulator, preparation method therefor, and uses thereof | 20160106 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0087061 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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