2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate

C109H106Cl11F6N9O22 — CID 161487187

About 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate

2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate (PubChem CID 161487187) has the molecular formula C109H106Cl11F6N9O22 and a molecular weight of 2398.06 g/mol. Its IUPAC name is 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate.

Molecular Properties

• Compound Name: 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
• PubChem CID: 161487187
• Molecular Formula: C109H106Cl11F6N9O22
• Molecular Weight: 2398.06 g/mol
• Exact Mass: 2391.39
• IUPAC Name: 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
• SMILES: C.C.C.C.C.C.C.C.C=Cc1cc(C(=O)OC)cc(-c2ccc(F)c(Cl)c2)n1.COC(=O)c1cc(-c2ccc(F)c(Cl)c2)nc(C(C)(O)C[N+](=O)[O-])c1.COC(=O)c1cc(-c2ccc(F)c(Cl)c2)nc(C(C)O)c1.COC(=O)c1cc(C(C)=O)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(C=O)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(Cl)nc(Cl)c1.O=C(O)c1cc(Cl)nc(Cl)c1
• InChI: InChI=1S/C16H14ClFN2O5.C15H13ClFNO3.C15H11ClFNO3.C15H11ClFNO2.C14H9ClFNO3.C13H8Cl2FNO2.C7H5Cl2NO2.C6H3Cl2NO2.8CH4/c1-16(22,8-20(23)24)14-7-10(15(21)25-2)6-13(19-14)9-3-4-12(18)11(17)5-9;2*1-8(19)13-6-10(15(20)21-2)7-14(18-13)9-3-4-12(17)11(16)5-9;1-3-11-6-10(15(19)20-2)8-14(18-11)9-4-5-13(17)12(16)7-9;1-20-14(19)9-4-10(7-18)17-13(6-9)8-2-3-12(16)11(15)5-8;1-19-13(18)8-5-11(17-12(15)6-8)7-2-3-10(16)9(14)4-7;1-12-7(11)4-2-5(8)10-6(9)3-4;7-4-1-3(6(10)11)2-5(8)9-4;;;;;;;;/h3-7,22H,8H2,1-2H3;3-8,19H,1-2H3;3-7H,1-2H3;3-8H,1H2,2H3;2-7H,1H3;2-6H,1H3;2-3H,1H3;1-2H,(H,10,11);8*1H4
• InChIKey: WFCYSOUFJUSWNU-UHFFFAOYSA-N
• XLogP: 30.17
• TPSA: 442.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.06
LogP ≤ 5	30.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

The IUPAC name of 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate (CID 161487187) is 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate.

What is the SMILES notation for 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

The canonical SMILES for 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate is C.C.C.C.C.C.C.C.C=Cc1cc(C(=O)OC)cc(-c2ccc(F)c(Cl)c2)n1.COC(=O)c1cc(-c2ccc(F)c(Cl)c2)nc(C(C)(O)C[N+](=O)[O-])c1.COC(=O)c1cc(-c2ccc(F)c(Cl)c2)nc(C(C)O)c1.COC(=O)c1cc(C(C)=O)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(C=O)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(Cl)nc(Cl)c1.O=C(O)c1cc(Cl)nc(Cl)c1.

What is the InChIKey of 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

The InChIKey is WFCYSOUFJUSWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O5.C15H13ClFNO3.C15H11ClFNO3.C15H11ClFNO2.C14H9ClFNO3.C13H8Cl2FNO2.C7H5Cl2NO2.C6H3Cl2NO2.8CH4/c1-16(22,8-20(23)24)14-7-10(15(21)25-2)6-13(19-14)9-3-4-12(18)11(17)5-9;2*1-8(19)13-6-10(15(20)21-2)7-14(18-13)9-3-4-12(17)11(16)5-9;1-3-11-6-10(15(19)20-2)8-14(18-11)9-4-5-13(17)12(16)7-9;1-20-14(19)9-4-10(7-18)17-13(6-9)8-2-3-12(16)11(15)5-8;1-19-13(18)8-5-11(17-12(15)6-8)7-2-3-10(16)9(14)4-7;1-12-7(11)4-2-5(8)10-6(9)3-4;7-4-1-3(6(10)11)2-5(8)9-4;;;;;;;;/h3-7,22H,8H2,1-2H3;3-8,19H,1-2H3;3-7H,1-2H3;3-8H,1H2,2H3;2-7H,1H3;2-6H,1H3;2-3H,1H3;1-2H,(H,10,11);8*1H4.

What are the key properties of 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate has a molecular weight of 2398.06 g/mol, XLogP of 30.17, 21 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate is sourced from PubChem (CID 161487187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).