6-[3-(Trifluoromethoxy)phenyl]nicotinic Acid - CAS 197847-91-9
Catalog: |
BB015289 |
Product Name: |
6-[3-(Trifluoromethoxy)phenyl]nicotinic Acid |
CAS: |
197847-91-9 |
Synonyms: |
6-[3-(trifluoromethoxy)phenyl]-3-pyridinecarboxylic acid; 6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid |
IUPAC Name: | 6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid |
Description: | 6-[3-(Trifluoromethoxy)phenyl]nicotinic Acid (CAS# 197847-91-9 ) is a useful research chemical. |
Molecular Weight: | 283.20 |
Molecular Formula: | C13H8F3NO3 |
Canonical SMILES: | C1=CC(=CC(=C1)OC(F)(F)F)C2=NC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C13H8F3NO3/c14-13(15,16)20-10-3-1-2-8(6-10)11-5-4-9(7-17-11)12(18)19/h1-7H,(H,18,19) |
InChI Key: | LPRMIDAWXMTKGE-UHFFFAOYSA-N |
LogP: | 3.34540 |
Publication Number | Title | Priority Date |
CA-2249607-A1 | Inhibitors of farnesyl-protein transferase | 19960403 |
EP-0891361-A1 | Inhibitors of farnesyl-protein transferase | 19960403 |
US-5872136-A | Arylheteroaryl inhibitors of farnesyl-protein transferase | 19960403 |
WO-9736901-A1 | Inhibitors of farnesyl-protein transferase | 19960403 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.0456276 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.0456276 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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