3-(Trifluoromethyl)pyridine-2-carbaldehyde - CAS 131747-62-1
Catalog: |
BB007486 |
Product Name: |
3-(Trifluoromethyl)pyridine-2-carbaldehyde |
CAS: |
131747-62-1 |
Synonyms: |
3-(trifluoromethyl)-2-pyridinecarboxaldehyde; 3-(trifluoromethyl)pyridine-2-carbaldehyde |
IUPAC Name: | 3-(trifluoromethyl)pyridine-2-carbaldehyde |
Description: | 3-(Trifluoromethyl)pyridine-2-carbaldehyde (CAS# 131747-62-1) is a useful research chemical. |
Molecular Weight: | 175.11 |
Molecular Formula: | C7H4F3NO |
Canonical SMILES: | C1=CC(=C(N=C1)C=O)C(F)(F)F |
InChI: | InChI=1S/C7H4F3NO/c8-7(9,10)5-2-1-3-11-6(5)4-12/h1-4H |
InChI Key: | FIIIEUQXYKDPRD-UHFFFAOYSA-N |
Boiling Point: | 218.5 °C at 760 mmHg |
Density: | 1.269 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD07375387 |
LogP: | 1.91290 |
GHS Hazard Statement: | H302 (50%): 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-2020221811-A1 | Novel oxalyl piperazines active against the hepatitis b virus (hbv) | 20190430 |
WO-2020221824-A1 | Novel indolizine-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
TW-202106678-A | Novel oxalyl piperazines active against the hepatitis b virus (hbv) | 20190430 |
TW-202106686-A | Novel indolizine-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
TW-201946915-A | Method and intermediate for preparing therapeutic compound | 20180216 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.02449824 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.02449824 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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