Name: Name:1(2H)-Pyridinecarboxylic acid, 5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001SY8
Rating: 90 (10 reviews)

1(2H)-Pyridinecarboxylic acid, 5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester

CAS No.:

1622840-55-4

Catalog Number:

AG001SY8

Molecular Formula:

C10H16BrNO2

Molecular Weight:

262.1435

Catalog Number:

AG001SY8

Chemical Name:

1(2H)-Pyridinecarboxylic acid, 5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester

CAS Number:

1622840-55-4

Molecular Formula:

C10H16BrNO2

Molecular Weight:

262.1435

MDL Number:

MFCD28054690

IUPAC Name:

tert-butyl 5-bromo-3,4-dihydro-2H-pyridine-1-carboxylate

InChI:

InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h7H,4-6H2,1-3H3

InChI Key:

IMDIJYNDIARCKQ-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC(=C1)Br)OC(C)(C)C

Complexity:

255

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.147g/mol

Monoisotopic Mass:

261.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3