3-Bromo-4-(chloromethyl)-5-fluoropyridine - CAS 1227573-06-9
Catalog: |
BB005487 |
Product Name: |
3-Bromo-4-(chloromethyl)-5-fluoropyridine |
CAS: |
1227573-06-9 |
Synonyms: |
3-bromo-4-(chloromethyl)-5-fluoropyridine; 3-bromo-4-(chloromethyl)-5-fluoropyridine |
IUPAC Name: | 3-bromo-4-(chloromethyl)-5-fluoropyridine |
Description: | 3-Bromo-4-(chloromethyl)-5-fluoropyridine (CAS# 1227573-06-9) is a useful research chemical. |
Molecular Weight: | 224.46 |
Molecular Formula: | C6H4BrClFN |
Canonical SMILES: | C1=C(C(=C(C=N1)Br)CCl)F |
InChI: | InChI=1S/C6H4BrClFN/c7-5-2-10-3-6(9)4(5)1-8/h2-3H,1H2 |
InChI Key: | ADGHVVFPSJRQBB-UHFFFAOYSA-N |
LogP: | 2.72200 |
Publication Number | Title | Priority Date |
US-10077241-B2 | Tetrahydro-benzoimidazolyl modulators of TGR5 | 20140415 |
US-2017029381-A1 | Tetrahydro-benzoimidazolyl modulators of tgr5 | 20140415 |
WO-2015160772-A1 | Tetrahydro-benzoimidazolyl modulators of tgr5 | 20140415 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.91997 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.91997 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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