6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid

C68H69Cl6N9O21Si — CID 158522742

IUPAC6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid
SMILESCOC(=O)c1ccc(Cl)nc1C(=O)OC.COC(=O)c1ccc[n+]([O-])c1C(=O)OC.COC(=O)c1cccnc1C(=O)OC.C[Si](C)(C)CCOCN1C(=O)C2(Cc3ccc(Cl)nc3C2)c2cccnc21.ClCc1ccc(Cl)nc1CCl.O=C(O)c1cccnc1C(=O)O.OCc1ccc(Cl)nc1CO
InChIInChI=1S/C20H24ClN3O2Si.C9H8ClNO4.C9H9NO5.C9H9NO4.C7H6Cl3N.C7H8ClNO2.C7H5NO4/c1-27(2,3)10-9-26-13-24-18-15(5-4-8-22-18)20(19(24)25)11-14-6-7-17(21)23-16(14)12-20;1-14-8(12)5-3-4-6(10)11-7(5)9(13)15-2;1-14-8(11)6-4-3-5-10(13)7(6)9(12)15-2;1-13-8(11)6-4-3-5-10-7(6)9(12)14-2;8-3-5-1-2-7(10)11-6(5)4-9;8-7-2-1-5(3-10)6(4-11)9-7;9-6(10)4-2-1-3-8-5(4)7(11)12/h4-8H,9-13H2,1-3H3;3-4H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;1-2H,3-4H2;1-2,10-11H,3-4H2;1-3H,(H,9,10)(H,11,12)
InChIKeyHMKKERBEUCSVAH-UHFFFAOYSA-N
MW1589.15 g/mol
LogP10.09
Rot. Bonds17

About 6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid

6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid (PubChem CID 158522742) has the molecular formula C68H69Cl6N9O21Si and a molecular weight of 1589.15 g/mol. Its IUPAC name is 6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid
PubChem CID158522742
Molecular FormulaC68H69Cl6N9O21Si
Molecular Weight1589.15 g/mol
Exact Mass1585.25
IUPAC Name6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid
SMILESCOC(=O)c1ccc(Cl)nc1C(=O)OC.COC(=O)c1ccc[n+]([O-])c1C(=O)OC.COC(=O)c1cccnc1C(=O)OC.C[Si](C)(C)CCOCN1C(=O)C2(Cc3ccc(Cl)nc3C2)c2cccnc21.ClCc1ccc(Cl)nc1CCl.O=C(O)c1cccnc1C(=O)O.OCc1ccc(Cl)nc1CO
InChIInChI=1S/C20H24ClN3O2Si.C9H8ClNO4.C9H9NO5.C9H9NO4.C7H6Cl3N.C7H8ClNO2.C7H5NO4/c1-27(2,3)10-9-26-13-24-18-15(5-4-8-22-18)20(19(24)25)11-14-6-7-17(21)23-16(14)12-20;1-14-8(12)5-3-4-6(10)11-7(5)9(13)15-2;1-14-8(11)6-4-3-5-10(13)7(6)9(12)15-2;1-13-8(11)6-4-3-5-10-7(6)9(12)14-2;8-3-5-1-2-7(10)11-6(5)4-9;8-7-2-1-5(3-10)6(4-11)9-7;9-6(10)4-2-1-3-8-5(4)7(11)12/h4-8H,9-13H2,1-3H3;3-4H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;1-2H,3-4H2;1-2,10-11H,3-4H2;1-3H,(H,9,10)(H,11,12)
InChIKeyHMKKERBEUCSVAH-UHFFFAOYSA-N
XLogP10.09
TPSA419.57 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001589.15
LogP ≤ 510.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid?
The IUPAC name of 6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid (CID 158522742) is 6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid?
The canonical SMILES for 6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid is COC(=O)c1ccc(Cl)nc1C(=O)OC.COC(=O)c1ccc[n+]([O-])c1C(=O)OC.COC(=O)c1cccnc1C(=O)OC.C[Si](C)(C)CCOCN1C(=O)C2(Cc3ccc(Cl)nc3C2)c2cccnc21.ClCc1ccc(Cl)nc1CCl.O=C(O)c1cccnc1C(=O)O.OCc1ccc(Cl)nc1CO.
What is the InChIKey of 6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid?
The InChIKey is HMKKERBEUCSVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2Si.C9H8ClNO4.C9H9NO5.C9H9NO4.C7H6Cl3N.C7H8ClNO2.C7H5NO4/c1-27(2,3)10-9-26-13-24-18-15(5-4-8-22-18)20(19(24)25)11-14-6-7-17(21)23-16(14)12-20;1-14-8(12)5-3-4-6(10)11-7(5)9(13)15-2;1-14-8(11)6-4-3-5-10(13)7(6)9(12)15-2;1-13-8(11)6-4-3-5-10-7(6)9(12)14-2;8-3-5-1-2-7(10)11-6(5)4-9;8-7-2-1-5(3-10)6(4-11)9-7;9-6(10)4-2-1-3-8-5(4)7(11)12/h4-8H,9-13H2,1-3H3;3-4H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;1-2H,3-4H2;1-2,10-11H,3-4H2;1-3H,(H,9,10)(H,11,12).
What are the key properties of 6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid?
6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid has a molecular weight of 1589.15 g/mol, XLogP of 10.09, 17 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-bis(chloromethyl)pyridine;[6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol;2-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-2,3-dicarboxylate;dimethyl 1-oxidopyridin-1-ium-2,3-dicarboxylate;dimethyl pyridine-2,3-dicarboxylate;pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 158522742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).