CAS No.: 1762-45-4 — 5,5'-Dimethoxycarbonyl-2,2'-bipyridine (2,2'-联吡啶-5,5'-二羧酸二甲酯)

1. Primary Information

English name:	5,5'-Dimethoxycarbonyl-2,2'-bipyridine
CAS No.:	1762-45-4
Molecular formula:	C₁₄H₁₂N₂O₄
Molecular weight:	272.26 g/mol
SMILES:	COC(=O)C1=CN=C(C=C1)C2=NC=C(C=C2)C(=O)OC
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	98%	184	RT	in stock	-
Kehua Intelligence	5g	98%	640	RT	in stock	-
Kehua Intelligence	25g	98%	1600	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 33 0 0 0 0 0 0 0999 V2000 5.4366 0.8870 -0.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4365 -0.8870 -0.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5588 -1.3354 0.2668 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5588 1.3354 0.2668 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4178 1.0308 -0.2326 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 -1.0308 -0.2326 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -0.0812 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7173 0.0812 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 -1.3020 0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2968 1.3020 0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4396 -0.2645 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 0.2646 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6845 -1.3870 0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6845 1.3870 0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7643 0.9098 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7643 -0.9098 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8905 -0.3216 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8905 0.3216 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8650 0.9581 -0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8650 -0.9581 -0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 -2.1797 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 2.1797 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1592 -2.3347 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 2.3348 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 1.8326 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2724 -1.8326 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2423 0.2679 -1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2986 0.7304 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1428 1.9776 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2985 -0.7305 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1427 -1.9775 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2422 -0.2679 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 7 2 0 0 0 0 5 15 1 0 0 0 0 6 8 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl 6-(5-methoxycarbonylpyridin-2-yl)pyridine-3-carboxylate

4.2 InChI

InChI=1S/C14H12N2O4/c1-19-13(17)9-3-5-11(15-7-9)12-6-4-10(8-16-12)14(18)20-2/h3-8H,1-2H3

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)