6-Hydroxy-4-(trifluoromethyl)nicotinic Acid - CAS 849020-87-7
Catalog: |
BB037354 |
Product Name: |
6-Hydroxy-4-(trifluoromethyl)nicotinic Acid |
CAS: |
849020-87-7 |
Synonyms: |
6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid; 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid |
IUPAC Name: | 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid |
Description: | 6-Hydroxy-4-(trifluoromethyl)nicotinic Acid (CAS# 849020-87-7) is used in preparation of N-aryl heteroarylcarboxamides and arylcarboxamides as WDR5 protein-protein binding inhibitors. |
Molecular Weight: | 207.11 |
Molecular Formula: | C7H4F3NO3 |
Canonical SMILES: | C1=C(C(=CNC1=O)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14) |
InChI Key: | WCUKVMMGYGOCGJ-UHFFFAOYSA-N |
MDL: | MFCD06245493 |
LogP: | 1.50420 |
GHS Hazard Statement: | H302 (25%): 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 |
AU-2017226004-A1 | Inhibitors of WDR5 protein-protein binding | 20160301 |
AU-2017226005-A1 | Inhibitors of WDR5 protein-protein binding | 20160301 |
CA-3015406-A1 | Inhibitors of wdr5 protein-protein binding | 20160301 |
CA-3015417-A1 | Inhibitors of wdr5 protein-protein binding | 20160301 |
EP-3423437-A1 | Inhibitors of wdr5 protein-protein binding | 20160301 |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.01432748 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.01432748 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS