CAS 1149-24-2 | 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, 3,5-diethyl ester | CAS Number 1149-24-2

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1149-24-2 | 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, 3,5-diethyl ester

CAS No: 1149-24-2 Catalog No: AG000FFE MDL No:MFCD00023506

Product Description

Catalog Number:

AG000FFE

Chemical Name:

3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, 3,5-diethyl ester

CAS Number:

1149-24-2

Molecular Formula:

C13H17NO4

Molecular Weight:

251.2784

MDL Number:

MFCD00023506

IUPAC Name:

diethyl 2,6-dimethylpyridine-3,5-dicarboxylate

InChI:

InChI=1S/C13H17NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h7H,5-6H2,1-4H3

InChI Key:

DIIWSYPKAJVXBV-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cc(C(=O)OCC)c(nc1C)C

NSC Number:

58515

Properties

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.282g/mol

Monoisotopic Mass:

251.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Diethyl 2,6-dimethyl-pyridine-3,5-dicarboxyl-ate at 100 K.	Acta crystallographica. Section E, Structure reports online 20091001
Poly[bis-(μ-2,6-dimethyl-pyridinium-3,5-dicarboxyl-ato-κO:O)copper(II)].	Acta crystallographica. Section E, Structure reports online 20081201