5-[3-(Trifluoromethyl)phenyl]nicotinic Acid - CAS 893740-46-0
Catalog: |
BB039456 |
Product Name: |
5-[3-(Trifluoromethyl)phenyl]nicotinic Acid |
CAS: |
893740-46-0 |
Synonyms: |
5-[3-(trifluoromethyl)phenyl]-3-pyridinecarboxylic acid; 5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid |
IUPAC Name: | 5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid |
Description: | 5-[3-(Trifluoromethyl)phenyl]nicotinic Acid (CAS# 893740-46-0 ) is a useful research chemical. |
Molecular Weight: | 267.20 |
Molecular Formula: | C13H8F3NO2 |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CN=C2)C(=O)O |
InChI: | InChI=1S/C13H8F3NO2/c14-13(15,16)11-3-1-2-8(5-11)9-4-10(12(18)19)7-17-6-9/h1-7H,(H,18,19) |
InChI Key: | XPOWGSBZIKCQTP-UHFFFAOYSA-N |
LogP: | 3.46560 |
Publication Number | Title | Priority Date |
EP-3694840-B1 | Piperazine derivatives as magl inhibitors | 20171010 |
ES-2363945-T3 | PIPERIDINS REPLACED WITH HETEROARILOS. | 20071130 |
WO-2007098352-A2 | Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors | 20060216 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.05071298 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.05071298 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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