Pyridine trifluoroacetate

CAT: 0024-sc-250818Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-250818Size:100 g

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CAS Number

464-05-1

Chemical Information

Pyridinium trifluoroacetate

CAS Number	464-05-1
PubChem CID	309472
IUPAC Name	pyridine;2,2,2-trifluoroacetic acid
Molecular Formula	C7H6F3NO2
Molecular Weight	193.12
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	114

SMILES

C1=CC=NC=C1.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C5H5N.C2HF3O2/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h1-5H;(H,6,7)

InChIKey

NRTYMEPCRDJMPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 464-05-1

CID: 309472

Formula: C7H6F3NO2

MW: 193.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	193.03506292
Monoisotopic Mass	193.03506292
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	114
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-251178	Tetraethylammonium trifluoroacetate
sc-358552A	Statinethylester trifluoroacetate
sc-263065A	Butyl trifluoroacetate
sc-268685	Cesium trifluoroacetate
sc-253248	Pentafluorophenyl trifluoroacetate
sc-250771	Potassium trifluoroacetate
sc-300935	Lithium trifluoroacetate
sc-253770	Trimethylsilyl trifluoroacetate
sc-251178A	Tetraethylammonium trifluoroacetate
sc-253035	Methyl trifluoroacetate

Catalog	Name
P991603	Pyridine Trifluoroacetate
PC401024	Pyridine-3-oxyacetic acid trifluoroacetate
AR-F01087-01	Fasudil Pyridine N-Oxide Trifluoroacetate
461452-01	Octahydro-1H-pyrrolo[3,4-b]pyridine-d2 Di-trifluoroacetate
PC1002701-01	2-Bromo-5- (piperidin-4-yl) pyridine 2,2,2-trifluoroacetate
JBD32533-01	2-Amino-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione trifluoroacetate
A3244-100	Bivalirudin Trifluoroacetate
HY-104009A-01	GSK2807 (Trifluoroacetate)
HY-16728B-01	Rapastinel (Trifluoroacetate)
SYB44819-01	Galnon trifluoroacetate