dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite

C55H59ClF8I5K2N6NaO17 — CID 161490730

About dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite

dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite (PubChem CID 161490730) has the molecular formula C55H59ClF8I5K2N6NaO17 and a molecular weight of 1999.24 g/mol. Its IUPAC name is dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite.

Molecular Properties

• Compound Name: dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite
• PubChem CID: 161490730
• Molecular Formula: C55H59ClF8I5K2N6NaO17
• Molecular Weight: 1999.24 g/mol
• Exact Mass: 1997.79
• IUPAC Name: dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite
• SMILES: C.C.C.CCOC=O.COC(=O)c1c(I)ccnc1CCc1ccccc1.COC(=O)c1c(I)ccnc1F.COOC.Fc1cc(I)ccn1.Fc1ccccn1.O=C(O)c1c(I)ccnc1F.O=CC(F)(F)F.O=CO[O-].O=Cc1c(I)ccnc1F.[H-].[K+].[K+].[Na+].[O-][Cl+][O-]
• InChI: InChI=1S/C15H14INO2.C7H5FINO2.C6H3FINO2.C6H3FINO.C5H3FIN.C5H4FN.C3H6O2.C2HF3O.C2H6O2.CH2O3.3CH4.ClO2.2K.Na.H/c1-19-15(18)14-12(16)9-10-17-13(14)8-7-11-5-3-2-4-6-11;1-12-7(11)5-4(9)2-3-10-6(5)8;7-5-4(6(10)11)3(8)1-2-9-5;7-6-4(3-10)5(8)1-2-9-6;6-5-3-4(7)1-2-8-5;6-5-3-1-2-4-7-5;1-2-5-3-4;3-2(4,5)1-6;1-3-4-2;2-1-4-3;;;;2-1-3;;;;/h2-6,9-10H,7-8H2,1H3;2-3H,1H3;1-2H,(H,10,11);1-3H;1-3H;1-4H;3H,2H2,1H3;1H;1-2H3;1,3H;3*1H4;;;;;/q;;;;;;;;;;;;;-1;3*+1;-1/p-1
• InChIKey: KLHQDMXHEMMCJI-UHFFFAOYSA-M
• XLogP: 1.29
• TPSA: 341.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1999.24
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite?

The IUPAC name of dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite (CID 161490730) is dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite.

What is the SMILES notation for dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite?

The canonical SMILES for dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite is C.C.C.CCOC=O.COC(=O)c1c(I)ccnc1CCc1ccccc1.COC(=O)c1c(I)ccnc1F.COOC.Fc1cc(I)ccn1.Fc1ccccn1.O=C(O)c1c(I)ccnc1F.O=CC(F)(F)F.O=CO[O-].O=Cc1c(I)ccnc1F.[H-].[K+].[K+].[Na+].[O-][Cl+][O-].

What is the InChIKey of dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite?

The InChIKey is KLHQDMXHEMMCJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14INO2.C7H5FINO2.C6H3FINO2.C6H3FINO.C5H3FIN.C5H4FN.C3H6O2.C2HF3O.C2H6O2.CH2O3.3CH4.ClO2.2K.Na.H/c1-19-15(18)14-12(16)9-10-17-13(14)8-7-11-5-3-2-4-6-11;1-12-7(11)5-4(9)2-3-10-6(5)8;7-5-4(6(10)11)3(8)1-2-9-5;7-6-4(3-10)5(8)1-2-9-6;6-5-3-4(7)1-2-8-5;6-5-3-1-2-4-7-5;1-2-5-3-4;3-2(4,5)1-6;1-3-4-2;2-1-4-3;;;;2-1-3;;;;/h2-6,9-10H,7-8H2,1H3;2-3H,1H3;1-2H,(H,10,11);1-3H;1-3H;1-4H;3H,2H2,1H3;1H;1-2H3;1,3H;3*1H4;;;;;/q;;;;;;;;;;;;;-1;3*+1;-1/p-1.

What are the key properties of dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite?

dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite has a molecular weight of 1999.24 g/mol, XLogP of 1.29, 11 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite is sourced from PubChem (CID 161490730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).