5-Methyl-2-(trifluoromethyl)pyridine - CAS 1620-71-9
Catalog: |
BB011826 |
Product Name: |
5-Methyl-2-(trifluoromethyl)pyridine |
CAS: |
1620-71-9 |
Synonyms: |
5-methyl-2-(trifluoromethyl)pyridine; 5-methyl-2-(trifluoromethyl)pyridine |
IUPAC Name: | 5-methyl-2-(trifluoromethyl)pyridine |
Description: | 5-Methyl-2-(trifluoromethyl)pyridine (CAS# 1620-71-9) is a pyridine based building block used in chemical synthesis. |
Molecular Weight: | 161.12 |
Molecular Formula: | C7H6F3N |
Canonical SMILES: | CC1=CN=C(C=C1)C(F)(F)F |
InChI: | InChI=1S/C7H6F3N/c1-5-2-3-6(11-4-5)7(8,9)10/h2-4H,1H3 |
InChI Key: | HALCBPJUGWBVBU-UHFFFAOYSA-N |
Boiling Point: | 147.2 °C at 760 mmHg |
Density: | 1.216 g/cm3 |
LogP: | 2.40880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127328-A1 | Trpml modulators | 20191219 |
WO-2021127333-A1 | Trpml modulators | 20191219 |
WO-2021127337-A1 | Trpml modulators | 20191219 |
WO-2021119242-A1 | Replication protein a (rpa)-dna interaction inhibitors | 20191210 |
WO-2021102288-A1 | Pyridopyrimidinone derivatives as ahr antagonists | 20191122 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.04523368 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.04523368 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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