4-(Trifluoromethyl)pyrimidine-2-carboxylic Acid - CAS 1000931-46-3
Catalog: |
BB000073 |
Product Name: |
4-(Trifluoromethyl)pyrimidine-2-carboxylic Acid |
CAS: |
1000931-46-3 |
Synonyms: |
4-(trifluoromethyl)-2-pyrimidinecarboxylic acid; 4-(trifluoromethyl)pyrimidine-2-carboxylic acid |
IUPAC Name: | 4-(trifluoromethyl)pyrimidine-2-carboxylic acid |
Description: | 4-(Trifluoromethyl)pyrimidine-2-carboxylic Acid (CAS# 1000931-46-3) is used as a reactant in the preparation of piperazine derivatives to be used as mGluR5 receptor positive allosteric modulators. |
Molecular Weight: | 192.10 |
Molecular Formula: | C6H3F3N2O2 |
Canonical SMILES: | C1=CN=C(N=C1C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C6H3F3N2O2/c7-6(8,9)3-1-2-10-4(11-3)5(12)13/h1-2H,(H,12,13) |
InChI Key: | RYIFBKCEVLTAOZ-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
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-2021057975-A1 | Mutant idh2 inhibitor and application thereof | 20190929 |
CN-106187911-A | 2 trifluoromethyl pyrimidine 4 carboxylic acids and derivant thereof and preparation method | 20160704 |
KR-20170078685-A | Pesticidally active polycyclic derivatives with sulfur containing substituents | 20141107 |
EP-2970304-A1 | P2x7 modulators | 20130314 |
EP-2970304-B1 | P2x7 modulators | 20130314 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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