5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane

C153H175AlCl6N8O29S — CID 158523949

About 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane

5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane (PubChem CID 158523949) has the molecular formula C153H175AlCl6N8O29S and a molecular weight of 2861.88 g/mol. Its IUPAC name is 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane.

Molecular Properties

• Compound Name: 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane
• PubChem CID: 158523949
• Molecular Formula: C153H175AlCl6N8O29S
• Molecular Weight: 2861.88 g/mol
• Exact Mass: 2857.01
• IUPAC Name: 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane
• SMILES: C=C(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.C=C(c1ccc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.COC(=O)c1ccc(C(=O)CO)nc1.COC(=O)c1ccc(C(=O)Cl)nc1.COC(=O)c1ccc(C(=O)O)nc1.COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)OCC3(C)C)nc1.COC(=O)c1ccc(C2(c3cc4c(cc3C)C(C)(C)OCC4(C)C)CC2)nc1.Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)COC2(C)C.Cc1ccc2c(c1)C(C)(C)OCC2(C)C.Cl[Al](Cl)Cl.O=S(Cl)Cl
• InChI: InChI=1S/C24H29NO3.2C23H27NO3.C22H25NO4.C22H25NO3.C14H20O.C9H9NO4.C8H6ClNO3.C8H7NO4.Al.Cl2OS.3ClH/c1-15-11-19-18(22(2,3)14-28-23(19,4)5)12-17(15)24(9-10-24)20-8-7-16(13-25-20)21(26)27-6;1-14-10-18-17(21(2,3)13-27-22(18,4)5)11-16(14)23(8-9-23)19-7-6-15(12-24-19)20(25)26;1-14-10-19-18(22(3,4)13-27-23(19,5)6)11-17(14)15(2)20-9-8-16(12-24-20)21(25)26-7;1-13-9-17-16(21(2,3)12-27-22(17,4)5)10-15(13)19(24)18-8-7-14(11-23-18)20(25)26-6;1-13-9-18-17(21(3,4)12-26-22(18,5)6)10-16(13)14(2)19-8-7-15(11-23-19)20(24)25;1-10-6-7-11-12(8-10)14(4,5)15-9-13(11,2)3;1-14-9(13)6-2-3-7(10-4-6)8(12)5-11;1-13-8(12)5-2-3-6(7(9)11)10-4-5;1-13-8(12)5-2-3-6(7(10)11)9-4-5;;1-4(2)3;;;/h7-8,11-13H,9-10,14H2,1-6H3;6-7,10-12H,8-9,13H2,1-5H3,(H,25,26);8-12H,2,13H2,1,3-7H3;7-11H,12H2,1-6H3;7-11H,2,12H2,1,3-6H3,(H,24,25);6-8H,9H2,1-5H3;2-4,11H,5H2,1H3;2-4H,1H3;2-4H,1H3,(H,10,11);;;3*1H/q;;;;;;;;;+3;;;;/p-3
• InChIKey: HMODFODQKPPOCU-UHFFFAOYSA-K
• XLogP: 31.06
• TPSA: 516.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2861.88
LogP ≤ 5	31.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane?

The IUPAC name of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane (CID 158523949) is 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane.

What is the SMILES notation for 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane?

The canonical SMILES for 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane is C=C(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.C=C(c1ccc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.COC(=O)c1ccc(C(=O)CO)nc1.COC(=O)c1ccc(C(=O)Cl)nc1.COC(=O)c1ccc(C(=O)O)nc1.COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)OCC3(C)C)nc1.COC(=O)c1ccc(C2(c3cc4c(cc3C)C(C)(C)OCC4(C)C)CC2)nc1.Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)COC2(C)C.Cc1ccc2c(c1)C(C)(C)OCC2(C)C.Cl[Al](Cl)Cl.O=S(Cl)Cl.

What is the InChIKey of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane?

The InChIKey is HMODFODQKPPOCU-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H29NO3.2C23H27NO3.C22H25NO4.C22H25NO3.C14H20O.C9H9NO4.C8H6ClNO3.C8H7NO4.Al.Cl2OS.3ClH/c1-15-11-19-18(22(2,3)14-28-23(19,4)5)12-17(15)24(9-10-24)20-8-7-16(13-25-20)21(26)27-6;1-14-10-18-17(21(2,3)13-27-22(18,4)5)11-16(14)23(8-9-23)19-7-6-15(12-24-19)20(25)26;1-14-10-19-18(22(3,4)13-27-23(19,5)6)11-17(14)15(2)20-9-8-16(12-24-20)21(25)26-7;1-13-9-17-16(21(2,3)12-27-22(17,4)5)10-15(13)19(24)18-8-7-14(11-23-18)20(25)26-6;1-13-9-18-17(21(3,4)12-26-22(18,5)6)10-16(13)14(2)19-8-7-15(11-23-19)20(24)25;1-10-6-7-11-12(8-10)14(4,5)15-9-13(11,2)3;1-14-9(13)6-2-3-7(10-4-6)8(12)5-11;1-13-8(12)5-2-3-6(7(9)11)10-4-5;1-13-8(12)5-2-3-6(7(10)11)9-4-5;;1-4(2)3;;;/h7-8,11-13H,9-10,14H2,1-6H3;6-7,10-12H,8-9,13H2,1-5H3,(H,25,26);8-12H,2,13H2,1,3-7H3;7-11H,12H2,1-6H3;7-11H,2,12H2,1,3-6H3,(H,24,25);6-8H,9H2,1-5H3;2-4,11H,5H2,1H3;2-4H,1H3;2-4H,1H3,(H,10,11);;;3*1H/q;;;;;;;;;+3;;;;/p-3.

What are the key properties of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane?

5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane has a molecular weight of 2861.88 g/mol, XLogP of 31.06, 22 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane is sourced from PubChem (CID 158523949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).