6-Chloro-4-(trifluoromethyl)nicotinic acid - CAS 261635-77-2
Catalog: |
BB019158 |
Product Name: |
6-Chloro-4-(trifluoromethyl)nicotinic acid |
CAS: |
261635-77-2 |
Synonyms: |
6-chloro-4-(trifluoromethyl)-3-pyridinecarboxylic acid; 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid |
Description: | 6-Chloro-4-(trifluoromethyl)nicotinic acid (CAS# 261635-77-2) is a building blocked used in organic synthesis such as the preparation of N-aryl heteroarylcarboxamides as inhibitors of WDR5 protein-protein binding. |
Molecular Weight: | 225.55 |
Molecular Formula: | C7H3ClF3NO2 |
Canonical SMILES: | C1=C(C(=CN=C1Cl)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C7H3ClF3NO2/c8-5-1-4(7(9,10)11)3(2-12-5)6(13)14/h1-2H,(H,13,14) |
InChI Key: | BULUOEXUXOKCIG-UHFFFAOYSA-N |
Boiling Point: | 309.9 ℃ at 760 mmHg |
Density: | 1.603 g/cm3 |
MDL: | MFCD06800446 |
LogP: | 2.45200 |
GHS Hazard Statement: | H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113480477-A | Preparation process of 4-trifluoromethyl nicotinic acid | 20210708 |
US-2020048242-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180809 |
US-11053235-B2 | Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases | 20180809 |
WO-2020001448-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180626 |
AU-2019296117-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of HBV infection or of HBV-induced diseases | 20180626 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.9804405 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.9804405 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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