| CAS Number | 923216-18-6 |
| Catalog Number | AG00GSGW(AGN-PC-0WCBFG) |
| Chemical Name | 2-((5-(Trifluoromethyl)pyridin-2-yl)amino)acetic acid |
| IUPAC Name | 2-[[5-(trifluoromethyl)pyridin-2-yl]amino]acetic acid |
| InChI | InChI=1S/C8H7F3N2O2/c9-8(10,11)5-1-2-6(12-3-5)13-4-7(14)15/h1-3H,4H2,(H,12,13)(H,14,15) |
| InChI Key | BLWLBHNBENFLEA-UHFFFAOYSA-N |
| MDL Number | MFCD08444829 |
| Molecular Formula | C8H7F3N2O2 |
| Molecular Weight | 220.1486 |
| SMILES | OC(CNC1=NC=C(C(F)(F)F)C=C1)=O |
| Synonyms | 923216-18-6,
{[5-(trifluoromethyl)pyridin-2-yl]amino}acetic acid,
[[5-(Trifluoromethyl)pyridin-2-yl]amino]acetic acid,
2-{[5-(trifluoromethyl)pyridin-2-yl]amino}acetic acid,
2-((5-(Trifluoromethyl)pyridin-2-yl)amino)acetic acid,
AC1Q761U,
SCHEMBL8012229,
CTK7J5274,
KS-00003SKD,
3274AF,
SBB055530,
ZINC19511810,
AKOS000193077,
MCULE-7572344793,
NE30153,
TS-00494,
EN300-39030,
2-(5-(trifluoromethyl)pyridin-2-ylamino)acetic acid,
2-{[5-(trifluoromethyl)-2-pyridyl]amino}acetic acid,
Z199622112,
C8H7F3N2O2,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.151g/mol |
| Monoisotopic Mass | 220.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number