6-(Trifluoromethyl)pyridine-3-carboxamidine - CAS 438249-89-9
Catalog: |
BB025470 |
Product Name: |
6-(Trifluoromethyl)pyridine-3-carboxamidine |
CAS: |
438249-89-9 |
Synonyms: |
6-(trifluoromethyl)-3-pyridinecarboximidamide; 6-(trifluoromethyl)pyridine-3-carboximidamide |
IUPAC Name: | 6-(trifluoromethyl)pyridine-3-carboximidamide |
Description: | 6-(Trifluoromethyl)pyridine-3-carboxamidine (CAS# 438249-89-9) is useful in study of capillary electrophoresis use in fragment-based drug discovery. |
Molecular Weight: | 189.14 |
Molecular Formula: | C7H6F3N3 |
Canonical SMILES: | C1=CC(=NC=C1C(=N)N)C(F)(F)F |
InChI: | InChI=1S/C7H6F3N3/c8-7(9,10)5-2-1-4(3-13-5)6(11)12/h1-3H,(H3,11,12) |
InChI Key: | HEJHFZBJXIMGQF-UHFFFAOYSA-N |
Boiling Point: | 225.4 °C at 760 mmHg |
Density: | 1.46 g/cm3 |
MDL: | MFCD09751605 |
LogP: | 2.18450 |
Publication Number | Title | Priority Date |
WO-2014149208-A1 | Purine-based pesticidal compositions and related methods | 20130315 |
AU-2012280420-A1 | 1, 2, 4 -thiadiazol- 5 -ylpiperazine derivatives useful in the treatment neurodegenerative diseases | 20110701 |
AU-2012280420-B2 | 1, 2, 4 -thiadiazol- 5 -ylpiperazine derivatives useful in the treatment neurodegenerative diseases | 20110701 |
CA-2837247-A1 | 1 , 2 , 4 -thiadiazol- 5 -ylpiperazine derivatives useful in the treatment neurodegenerative diseases | 20110701 |
CA-2837247-C | 1 , 2 , 4 -thiadiazol- 5 -ylpiperazine derivatives useful in the treatment neurodegenerative diseases | 20110701 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.05138169 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.05138169 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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