Name: Name:3-Pyridinecarboxylic acid, 6-(2,2,2-trifluoroethoxy)-, methyl ester
Brand: Angene
SKU: AG002WJ0
Rating: 90 (10 reviews)

3-Pyridinecarboxylic acid, 6-(2,2,2-trifluoroethoxy)-, methyl ester

CAS No.:

287979-27-5

Catalog Number:

AG002WJ0

Molecular Formula:

C9H8F3NO3

Molecular Weight:

235.1599

Catalog Number:

AG002WJ0

Chemical Name:

3-Pyridinecarboxylic acid, 6-(2,2,2-trifluoroethoxy)-, methyl ester

CAS Number:

287979-27-5

Molecular Formula:

C9H8F3NO3

Molecular Weight:

235.1599

MDL Number:

MFCD00831623

IUPAC Name:

methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate

InChI:

InChI=1S/C9H8F3NO3/c1-15-8(14)6-2-3-7(13-4-6)16-5-9(10,11)12/h2-4H,5H2,1H3

InChI Key:

JJRKMEKLZZJTEU-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(nc1)OCC(F)(F)F

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.162g/mol

Monoisotopic Mass:

235.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1