2-Amino-5-bromo-4-(trifluoromethyl)pyridine - CAS 944401-56-3
Catalog: |
BB041317 |
Product Name: |
2-Amino-5-bromo-4-(trifluoromethyl)pyridine |
CAS: |
944401-56-3 |
Synonyms: |
5-bromo-4-(trifluoromethyl)pyridin-2-amine |
IUPAC Name: | 5-bromo-4-(trifluoromethyl)pyridin-2-amine |
Description: | 2-Amino-5-bromo-4-(trifluoromethyl)pyridine (CAS# 944401-56-3) is a useful research chemical. |
Molecular Weight: | 241.01 |
Molecular Formula: | C6H4BrF3N2 |
Canonical SMILES: | C1=C(C(=CN=C1N)Br)C(F)(F)F |
InChI: | InChI=1S/C6H4BrF3N2/c7-4-2-12-5(11)1-3(4)6(8,9)10/h1-2H,(H2,11,12) |
InChI Key: | AEWYLVDLWQPJGW-UHFFFAOYSA-N |
Boiling Point: | 243.9 °C at 760 mmHg |
Density: | 1.79 g/cm3 |
LogP: | 3.02630 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021122745-A1 | 4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]piperidin-3-ol compounds and their therapeutic use | 20191216 |
WO-2021055747-A1 | Therapeutic conjugates | 20190919 |
WO-2020263186-A1 | Compounds for treatment of cancer | 20190625 |
US-2020339559-A1 | Heterocyclic compounds and their use for treatment of helminthic infections and diseases | 20190426 |
WO-2020219871-A1 | Heterocyclic compounds and their use for treatment of helminthic infections and diseases | 20190426 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.95100 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.95100 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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