Ethyl 6-Chloro-2-methylnicotinate - CAS 31163-12-9
Catalog: |
BB020815 |
Product Name: |
Ethyl 6-Chloro-2-methylnicotinate |
CAS: |
31163-12-9 |
Synonyms: |
6-chloro-2-methyl-3-pyridinecarboxylic acid ethyl ester; ethyl 6-chloro-2-methylpyridine-3-carboxylate |
IUPAC Name: | ethyl 6-chloro-2-methylpyridine-3-carboxylate |
Description: | Ethyl 6-Chloro-2-methylnicotinate (CAS# 31163-12-9) is a useful research chemical. |
Molecular Weight: | 199.63 |
Molecular Formula: | C9H10ClNO2 |
Canonical SMILES: | CCOC(=O)C1=C(N=C(C=C1)Cl)C |
InChI: | InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-5-8(10)11-6(7)2/h4-5H,3H2,1-2H3 |
InChI Key: | CRQYVOKBIGDOGA-UHFFFAOYSA-N |
Boiling Point: | 254.004 °C at 760 mmHg |
Density: | 1.208 g/cm3 |
Appearance: | Solid |
LogP: | 2.22010 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020145250-A1 | 15-pgdh inhibitor | 20190108 |
TW-202043206-A | 15-PGDH inhibitor | 20190108 |
CN-113226310-A | 15-PGDH inhibitors | 20190108 |
KR-20210113598-A | 15-PGDH inhibitor | 20190108 |
WO-2019201291-A1 | Histone acetyltransferase (hat) inhibitor and use thereof | 20180420 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.0400063 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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