5-Bromo-2-(trifluoromethyl)isonicotinic Acid - CAS 749875-16-9
Catalog: |
BB035206 |
Product Name: |
5-Bromo-2-(trifluoromethyl)isonicotinic Acid |
CAS: |
749875-16-9 |
Synonyms: |
5-bromo-2-(trifluoromethyl)-4-pyridinecarboxylic acid; 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid |
IUPAC Name: | 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid |
Description: | 5-Bromo-2-(trifluoromethyl)isonicotinic Acid (CAS# 749875-16-9) is a useful research chemical. |
Molecular Weight: | 270.00 |
Molecular Formula: | C7H3BrF3NO2 |
Canonical SMILES: | C1=C(C(=CN=C1C(F)(F)F)Br)C(=O)O |
InChI: | InChI=1S/C7H3BrF3NO2/c8-4-2-12-5(7(9,10)11)1-3(4)6(13)14/h1-2H,(H,13,14) |
InChI Key: | XNVAVQMVAYUTBA-UHFFFAOYSA-N |
Boiling Point: | 371.6 °C at 760 mmHg |
Density: | 1.863 g/cm3 |
Appearance: | Solid |
MDL: | MFCD10687236 |
LogP: | 2.56110 |
GHS Hazard Statement: | H302 (20%): 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-2021011713-A1 | Imidazopyrimidines as eed inhibitors and the use thereof | 20190716 |
CN-111065383-A | Carboxamides useful as sodium channel modulators | 20170711 |
EP-3651752-A1 | Carboxamides as modulators of sodium channels | 20170711 |
KR-20200026987-A | Carboxamides as Modulators of Sodium Channels | 20170711 |
TW-201920081-A | Carboxamide as a sodium channel regulator | 20170711 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.92993 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.92993 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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