4-Chloro-2-methylnicotinic Acid - CAS 914219-06-0
Catalog: |
BB040179 |
Product Name: |
4-Chloro-2-methylnicotinic Acid |
CAS: |
914219-06-0 |
Synonyms: |
4-chloro-2-methyl-3-pyridinecarboxylic acid; 4-chloro-2-methylpyridine-3-carboxylic acid |
IUPAC Name: | 4-chloro-2-methylpyridine-3-carboxylic acid |
Description: | 4-Chloro-2-methylnicotinic Acid (CAS# 914219-06-0) is a chemical reagent used to synthesis heterocyclic pharmaceutical compounds. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | CC1=NC=CC(=C1C(=O)O)Cl |
InChI: | InChI=1S/C7H6ClNO2/c1-4-6(7(10)11)5(8)2-3-9-4/h2-3H,1H3,(H,10,11) |
InChI Key: | SJURQBMTXUBKKS-UHFFFAOYSA-N |
LogP: | 1.74160 |
Publication Number | Title | Priority Date |
US-2020102311-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065614-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202035409-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164458-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856179-A1 | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 163 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0087061 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Pyridines
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