6-(3,5-Difluorophenyl)picolinic acid - CAS 1226098-50-5
Catalog: |
BB067578 |
Product Name: |
6-(3,5-Difluorophenyl)picolinic acid |
CAS: |
1226098-50-5 |
Synonyms: |
6-(3,5-difluorophenyl)picolinic acid; 6-(3,5-DIFLUOROPHENYL)PYRIDINE-2-CARBOXYLIC ACID; 6-(3,5-difluorophenyl)picolinicacid |
IUPAC Name: | 6-(3,5-difluorophenyl)pyridine-2-carboxylic acid |
Description: | 6-(3,5-Difluorophenyl)picolinic acid |
Molecular Weight: | 235.18 |
Molecular Formula: | C12H7F2NO2 |
Canonical SMILES: | C1=CC(=NC(=C1)C(=O)O)C2=CC(=CC(=C2)F)F |
InChI: | InChI=1S/C12H7F2NO2/c13-8-4-7(5-9(14)6-8)10-2-1-3-11(15-10)12(16)17/h1-6H,(H,16,17) |
InChI Key: | RPBRVJLENUJJBZ-UHFFFAOYSA-N |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.04448479 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.04448479 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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