4-(Trifluoromethyl)pyrimidine-5-carboxylic Acid - CAS 220880-12-6
Catalog: |
BB017358 |
Product Name: |
4-(Trifluoromethyl)pyrimidine-5-carboxylic Acid |
CAS: |
220880-12-6 |
Synonyms: |
4-(trifluoromethyl)-5-pyrimidinecarboxylic acid; 4-(trifluoromethyl)pyrimidine-5-carboxylic acid |
IUPAC Name: | 4-(trifluoromethyl)pyrimidine-5-carboxylic acid |
Description: | 4-(Trifluoromethyl)pyrimidine-5-carboxylic Acid (CAS# 220880-12-6) is a useful research chemical. |
Molecular Weight: | 192.10 |
Molecular Formula: | C6H3F3N2O2 |
Canonical SMILES: | C1=C(C(=NC=N1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C6H3F3N2O2/c7-6(8,9)4-3(5(12)13)1-10-2-11-4/h1-2H,(H,12,13) |
InChI Key: | OQHVVOYDDRBQRI-UHFFFAOYSA-N |
Boiling Point: | 291.047 ℃ at 760 mmHg |
Density: | 1.576 g/cm3 |
LogP: | 1.19360 |
Publication Number | Title | Priority Date |
WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 20200324 |
WO-2021028570-A1 | 2-hydroxycycloalkane-1-carbamoyl derivatives | 20190815 |
WO-2020264499-A1 | Irak degraders and uses thereof | 20190628 |
US-2021214701-A1 | Modified cleavases, uses thereof and related kits | 20190326 |
WO-2020084300-A1 | Therapeutic compounds | 20181022 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.01466183 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.01466183 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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