Methyl 6-Chloro-2-pyridineacetate - CAS 161807-18-7
Catalog: |
BB011784 |
Product Name: |
Methyl 6-Chloro-2-pyridineacetate |
CAS: |
161807-18-7 |
Synonyms: |
2-(6-chloro-2-pyridinyl)acetic acid methyl ester; methyl 2-(6-chloropyridin-2-yl)acetate |
IUPAC Name: | methyl 2-(6-chloropyridin-2-yl)acetate |
Description: | Methyl 6-Chloro-2-pyridineacetate (CAS# 161807-18-7 ) is a useful research chemical. |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | COC(=O)CC1=NC(=CC=C1)Cl |
InChI: | InChI=1S/C8H8ClNO2/c1-12-8(11)5-6-3-2-4-7(9)10-6/h2-4H,5H2,1H3 |
InChI Key: | KQZPAXQFNLEKLS-UHFFFAOYSA-N |
LogP: | 1.45050 |
Publication Number | Title | Priority Date |
EP-2822931-A1 | Triazolone compounds and uses thereof | 20120309 |
EP-2822931-B1 | Triazolone compounds and uses thereof | 20120309 |
US-2015080412-A1 | Triazolone compounds and uses thereof | 20120309 |
US-9505728-B2 | Triazolone compounds and uses thereof | 20120309 |
WO-2013134562-A1 | Triazolone compounds and uses thereof | 20120309 |
Complexity: | 163 |
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: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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