5-Bromo-2-(difluoromethyl)pyridine - CAS 845827-13-6
Catalog: |
BB037246 |
Product Name: |
5-Bromo-2-(difluoromethyl)pyridine |
CAS: |
845827-13-6 |
Synonyms: |
5-bromo-2-(difluoromethyl)pyridine |
IUPAC Name: | 5-bromo-2-(difluoromethyl)pyridine |
Description: | 5-Bromo-2-(difluoromethyl)pyridine (CAS# 845827-13-6) is a useful research chemical. |
Molecular Weight: | 208.00 |
Molecular Formula: | C6H4BrF2N |
Canonical SMILES: | C1=CC(=NC=C1Br)C(F)F |
InChI: | InChI=1S/C6H4BrF2N/c7-4-1-2-5(6(8)9)10-3-4/h1-3,6H |
InChI Key: | QXLZRIGSWWQOLG-UHFFFAOYSA-N |
Boiling Point: | 206.644 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.64 g/cm3 |
MDL: | MFCD11977429 |
LogP: | 2.78170 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3892332-A1 | New anti-malarial agents | 20200409 |
WO-2021204952-A1 | New anti-malarial agents | 20200409 |
EP-3842100-A1 | Anti-malarial agents | 20191224 |
WO-2021130259-A1 | Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds | 20191223 |
WO-2021123266-A1 | Anti-malarial agents | 20191220 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.94952 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.94952 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Related Functional Groups
Pyridines
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