(3-Bromo-5-fluoropyridin-4-yl)methanol - CAS 1227586-02-8
Catalog: |
BB070993 |
Product Name: |
(3-Bromo-5-fluoropyridin-4-yl)methanol |
CAS: |
1227586-02-8 |
Synonyms: |
(3-bromo-5-fluoropyridin-4-yl)methanol; 3-Bromo-5-fluoropyridine-4-methanol; (3-Bromo-5-fluoro-4-pyridyl)methanol |
IUPAC Name: | (3-bromo-5-fluoropyridin-4-yl)methanol |
Description: | (3-bromo-5-fluoropyridin-4-yl)methanol (cas# 1227586-02-8) is used as a reagent in the synthetic preparation of tetrahydro-benzimidazole derivatives as modulators of TGR5. |
Molecular Weight: | 206.01 |
Molecular Formula: | C6H5NOFBr |
Canonical SMILES: | C1=C(C(=C(C=N1)Br)CO)F |
InChI: | InChI=1S/C6H5BrFNO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2 |
InChI Key: | ZWLOVNMLDKYAMK-UHFFFAOYSA-N |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.95385 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.95385 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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