4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

C80H53Cl9F15N17O12 — CID 158295699

About 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 158295699) has the molecular formula C80H53Cl9F15N17O12 and a molecular weight of 2048.46 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
• PubChem CID: 158295699
• Molecular Formula: C80H53Cl9F15N17O12
• Molecular Weight: 2048.46 g/mol
• Exact Mass: 2043.10
• IUPAC Name: 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
• SMILES: C=Cc1c(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc(Cl)c1F.C=Cc1c(C(=O)OC)nc(-c2ccc(C(F)(F)F)nc2)c(F)c1N.COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2F)nc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2CF)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)nc2Cl)cc(N)c1Cl.Nc1c(F)c(-c2ccc(C(F)(F)F)nc2)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C15H11Cl2FN2O2.C15H11F4N3O2.C14H10Cl2F2N2O2.C12H8Cl3N3O2.C12H7ClF4N4O2.C12H6ClF4N3O2/c1-3-7-8(4-5-9(16)13(7)18)11-6-10(19)12(17)14(20-11)15(21)22-2;1-3-8-11(20)10(16)12(22-13(8)14(23)24-2)7-4-5-9(21-6-7)15(17,18)19;1-22-14(21)13-11(16)9(19)4-10(20-13)6-2-3-8(15)12(18)7(6)5-17;1-20-12(19)10-9(14)6(16)4-7(17-10)5-2-3-8(13)18-11(5)15;1-23-11(22)7-6(13)9(18)21-10(20-7)4-2-3-5(12(15,16)17)19-8(4)14;13-6-8(18)7(14)9(20-10(6)11(21)22)4-1-2-5(19-3-4)12(15,16)17/h3-6H,1H2,2H3,(H2,19,20);3-6H,1H2,2H3,(H2,20,22);2-4H,5H2,1H3,(H2,19,20);2-4H,1H3,(H2,16,17);2-3H,1H3,(H2,18,20,21);1-3H,(H2,18,20)(H,21,22)
• InChIKey: GLWNNBTZTRUPGX-UHFFFAOYSA-N
• XLogP: 20.98
• TPSA: 466.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2048.46
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

The IUPAC name of 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (CID 158295699) is 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

What is the SMILES notation for 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

The canonical SMILES for 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is C=Cc1c(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc(Cl)c1F.C=Cc1c(C(=O)OC)nc(-c2ccc(C(F)(F)F)nc2)c(F)c1N.COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2F)nc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2CF)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)nc2Cl)cc(N)c1Cl.Nc1c(F)c(-c2ccc(C(F)(F)F)nc2)nc(C(=O)O)c1Cl.

What is the InChIKey of 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

The InChIKey is GLWNNBTZTRUPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O2.C15H11F4N3O2.C14H10Cl2F2N2O2.C12H8Cl3N3O2.C12H7ClF4N4O2.C12H6ClF4N3O2/c1-3-7-8(4-5-9(16)13(7)18)11-6-10(19)12(17)14(20-11)15(21)22-2;1-3-8-11(20)10(16)12(22-13(8)14(23)24-2)7-4-5-9(21-6-7)15(17,18)19;1-22-14(21)13-11(16)9(19)4-10(20-13)6-2-3-8(15)12(18)7(6)5-17;1-20-12(19)10-9(14)6(16)4-7(17-10)5-2-3-8(13)18-11(5)15;1-23-11(22)7-6(13)9(18)21-10(20-7)4-2-3-5(12(15,16)17)19-8(4)14;13-6-8(18)7(14)9(20-10(6)11(21)22)4-1-2-5(19-3-4)12(15,16)17/h3-6H,1H2,2H3,(H2,19,20);3-6H,1H2,2H3,(H2,20,22);2-4H,5H2,1H3,(H2,19,20);2-4H,1H3,(H2,16,17);2-3H,1H3,(H2,18,20,21);1-3H,(H2,18,20)(H,21,22).

What are the key properties of 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 2048.46 g/mol, XLogP of 20.98, 15 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 158295699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).