2-(Trifluoromethyl)pyrimidine-5-carbaldehyde - CAS 304693-66-1
Catalog: |
BB020608 |
Product Name: |
2-(Trifluoromethyl)pyrimidine-5-carbaldehyde |
CAS: |
304693-66-1 |
Synonyms: |
2-(trifluoromethyl)-5-pyrimidinecarboxaldehyde; 2-(trifluoromethyl)pyrimidine-5-carbaldehyde |
IUPAC Name: | 2-(trifluoromethyl)pyrimidine-5-carbaldehyde |
Description: | 2-(Trifluoromethyl)pyrimidine-5-carbaldehyde (CAS# 304693-66-1) is a useful research chemical. |
Molecular Weight: | 176.10 |
Molecular Formula: | C6H3F3N2O |
Canonical SMILES: | C1=C(C=NC(=N1)C(F)(F)F)C=O |
InChI: | InChI=1S/C6H3F3N2O/c7-6(8,9)5-10-1-4(3-12)2-11-5/h1-3H |
InChI Key: | GAUDQBASERVUGM-UHFFFAOYSA-N |
Boiling Point: | 153.259 °C at 760 mmHg |
Density: | 1.455 g/cm3 |
MDL: | MFCD08752498 |
LogP: | 1.30790 |
Publication Number | Title | Priority Date |
CN-111892585-A | N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof | 20200805 |
CN-113214240-A | N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof | 20200805 |
EP-3892332-A1 | New anti-malarial agents | 20200409 |
WO-2021204952-A1 | New anti-malarial agents | 20200409 |
CN-113474343-A | Pyrazolopyridine compound as RET inhibitor and application thereof | 20190403 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.01974721 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.01974721 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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