4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

C76H46Cl11F16N17O14 — CID 160516520

About 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 160516520) has the molecular formula C76H46Cl11F16N17O14 and a molecular weight of 2115.26 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
• PubChem CID: 160516520
• Molecular Formula: C76H46Cl11F16N17O14
• Molecular Weight: 2115.26 g/mol
• Exact Mass: 2108.97
• IUPAC Name: 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2C)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C(F)F)nc2Cl)c(F)c(N)c1Cl.COc1nc(C(F)(F)F)ccc1-c1nc(C(=O)O)c(Cl)c(N)c1F.Cc1c(-c2nc(C(=O)O)c(Cl)c(N)c2F)ccc(Cl)c1F.Nc1c(F)c(-c2ccc(OC(F)F)nc2Cl)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(Cl)nc2Cl)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C14H10ClF4N3O2.C13H8Cl2F3N3O2.C13H8Cl2F2N2O2.C13H8ClF4N3O3.C12H6Cl2F3N3O3.C11H6Cl3N3O2/c1-5-6(3-4-7(21-5)14(17,18)19)11-9(16)10(20)8(15)12(22-11)13(23)24-2;1-23-13(22)10-6(14)8(19)7(16)9(21-10)4-2-3-5(12(17)18)20-11(4)15;1-4-5(2-3-6(14)8(4)16)11-9(17)10(18)7(15)12(19-11)13(20)21;1-24-11-4(2-3-5(20-11)13(16,17)18)9-7(15)8(19)6(14)10(21-9)12(22)23;13-5-7(18)6(15)8(20-9(5)11(21)22)3-1-2-4(19-10(3)14)23-12(16)17;12-7-2-1-4(10(14)17-7)6-3-5(15)8(13)9(16-6)11(18)19/h3-4H,1-2H3,(H2,20,22);2-3,12H,1H3,(H2,19,21);2-3H,1H3,(H2,18,19)(H,20,21);2-3H,1H3,(H2,19,21)(H,22,23);1-2,12H,(H2,18,20)(H,21,22);1-3H,(H2,15,16)(H,18,19)
• InChIKey: QTSOJXFFDFZWOE-UHFFFAOYSA-N
• XLogP: 21.55
• TPSA: 518.17 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2115.26
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

The IUPAC name of 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (CID 160516520) is 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

What is the SMILES notation for 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

The canonical SMILES for 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2C)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C(F)F)nc2Cl)c(F)c(N)c1Cl.COc1nc(C(F)(F)F)ccc1-c1nc(C(=O)O)c(Cl)c(N)c1F.Cc1c(-c2nc(C(=O)O)c(Cl)c(N)c2F)ccc(Cl)c1F.Nc1c(F)c(-c2ccc(OC(F)F)nc2Cl)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(Cl)nc2Cl)nc(C(=O)O)c1Cl.

What is the InChIKey of 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

The InChIKey is QTSOJXFFDFZWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N3O2.C13H8Cl2F3N3O2.C13H8Cl2F2N2O2.C13H8ClF4N3O3.C12H6Cl2F3N3O3.C11H6Cl3N3O2/c1-5-6(3-4-7(21-5)14(17,18)19)11-9(16)10(20)8(15)12(22-11)13(23)24-2;1-23-13(22)10-6(14)8(19)7(16)9(21-10)4-2-3-5(12(17)18)20-11(4)15;1-4-5(2-3-6(14)8(4)16)11-9(17)10(18)7(15)12(19-11)13(20)21;1-24-11-4(2-3-5(20-11)13(16,17)18)9-7(15)8(19)6(14)10(21-9)12(22)23;13-5-7(18)6(15)8(20-9(5)11(21)22)3-1-2-4(19-10(3)14)23-12(16)17;12-7-2-1-4(10(14)17-7)6-3-5(15)8(13)9(16-6)11(18)19/h3-4H,1-2H3,(H2,20,22);2-3,12H,1H3,(H2,19,21);2-3H,1H3,(H2,18,19)(H,20,21);2-3H,1H3,(H2,19,21)(H,22,23);1-2,12H,(H2,18,20)(H,21,22);1-3H,(H2,15,16)(H,18,19).

What are the key properties of 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 2115.26 g/mol, XLogP of 21.55, 16 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-6-[2-chloro-6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,6-dichloro-3-pyridinyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[2-chloro-6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 160516520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).