Name: Name:2-Pyridinecarboxylic acid, 5-bromo-3-(trifluoromethyl)-, methyl ester
Brand: Angene
SKU: AG0014SO
Rating: 90 (10 reviews)

2-Pyridinecarboxylic acid, 5-bromo-3-(trifluoromethyl)-, methyl ester

CAS No.:

1214328-84-3

Catalog Number:

AG0014SO

Molecular Formula:

C8H5BrF3NO2

Molecular Weight:

284.0300

Catalog Number:

AG0014SO

Chemical Name:

2-Pyridinecarboxylic acid, 5-bromo-3-(trifluoromethyl)-, methyl ester

CAS Number:

1214328-84-3

Molecular Formula:

C8H5BrF3NO2

Molecular Weight:

284.0300

MDL Number:

MFCD14698001

IUPAC Name:

methyl 5-bromo-3-(trifluoromethyl)pyridine-2-carboxylate

InChI:

InChI=1S/C8H5BrF3NO2/c1-15-7(14)6-5(8(10,11)12)2-4(9)3-13-6/h2-3H,1H3

InChI Key:

YRYMNZJJAFOWHH-UHFFFAOYSA-N

SMILES:

COC(=O)c1ncc(cc1C(F)(F)F)Br

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.946g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

284.032g/mol

Monoisotopic Mass:

282.946g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6