6-(2-Fluorophenyl)nicotinic Acid - CAS 505082-91-7
Catalog: |
BB027085 |
Product Name: |
6-(2-Fluorophenyl)nicotinic Acid |
CAS: |
505082-91-7 |
Synonyms: |
6-(2-fluorophenyl)-3-pyridinecarboxylic acid; 6-(2-fluorophenyl)pyridine-3-carboxylic acid |
IUPAC Name: | 6-(2-fluorophenyl)pyridine-3-carboxylic acid |
Description: | 6-(2-Fluorophenyl)nicotinic Acid (CAS# 505082-91-7 ) is a useful research chemical. |
Molecular Weight: | 217.20 |
Molecular Formula: | C12H8FNO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NC=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C12H8FNO2/c13-10-4-2-1-3-9(10)11-6-5-8(7-14-11)12(15)16/h1-7H,(H,15,16) |
InChI Key: | YJILCXGTKPCIMF-UHFFFAOYSA-N |
MDL: | MFCD06410386 |
LogP: | 2.58590 |
Publication Number | Title | Priority Date |
CA-2672373-C | Nicotinamide derivatives as inhibitors of h-pgds and their use for treating prostaglandin d2 mediated diseases | 20061219 |
EP-2129660-A2 | Nicotinamide derivatives as inhibitors of h-pgds and their use for treating prostaglandin d2 mediated diseases | 20061219 |
JP-2010513458-A | Nicotinamide derivatives as inhibitors of H-PGDS and their use to treat prostaglandin D2-mediated diseases | 20061219 |
US-2008146569-A1 | Nicotinamide Derivatives | 20061219 |
US-7902373-B2 | Nicotinamide derivatives | 20061219 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.05390666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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