2-(Trifluoromethyl)pyrimidine-5-carboxylic acid - CAS 306960-77-0
Catalog: |
BB020687 |
Product Name: |
2-(Trifluoromethyl)pyrimidine-5-carboxylic acid |
CAS: |
306960-77-0 |
Synonyms: |
2-(trifluoromethyl)pyrimidine-5-carboxylic acid |
IUPAC Name: | 2-(trifluoromethyl)pyrimidine-5-carboxylic acid |
Description: | 2-(Trifluoromethyl)pyrimidine-5-carboxylic acid (CAS# 306960-77-0) 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)5-10-1-3(2-11-5)4(12)13/h1-2H,(H,12,13) |
InChI Key: | RGLZXVNOHDUMRJ-UHFFFAOYSA-N |
Boiling Point: | 220.665 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.576 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09054851 |
LogP: | 1.19360 |
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-2021154902-A1 | Collagen 1 translation inhibitors and methods of use thereof | 20200130 |
CN-111162313-A | Polymer electrolyte and lithium ion battery | 20191223 |
WO-2020264499-A1 | Irak degraders and uses thereof | 20190628 |
TW-202000657-A | Substituted pyridine compound or a salt thereof | 20180222 |
WO-2019163921-A1 | Substituted pyridine compound and salt thereof | 20180222 |
Complexity: | 199 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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