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

C79H54Cl8F16N16O13 — CID 159637118

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

4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-methoxyphenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 159637118) has the molecular formula C79H54Cl8F16N16O13 and a molecular weight of 2022.99 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-methoxyphenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-methoxyphenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
• PubChem CID: 159637118
• Molecular Formula: C79H54Cl8F16N16O13
• Molecular Weight: 2022.99 g/mol
• Exact Mass: 2018.13
• IUPAC Name: 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-methoxyphenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C)nc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2C(F)F)cc(N)c1Cl.Cc1c(F)c(Cl)cc(F)c1-c1cc(N)c(Cl)c(C(=O)O)n1.Cc1nc(C(F)(F)F)ccc1-c1nc(C(=O)O)c(Cl)c(N)c1F.Nc1c(F)c(-c2ccc(C(F)F)nc2)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C15H12Cl2F2N2O3.C13H8Cl2F2N2O2.2C13H8ClF4N3O2.C13H11ClFN3O2.C12H7ClF3N3O2/c1-23-13-7(16)4-3-6(10(13)14(18)19)9-5-8(20)11(17)12(21-9)15(22)24-2;1-4-9(6(16)2-5(14)11(4)17)8-3-7(18)10(15)12(19-8)13(20)21;1-23-12(22)11-7(14)9(19)8(15)10(21-11)5-2-3-6(20-4-5)13(16,17)18;1-4-5(2-3-6(20-4)13(16,17)18)10-8(15)9(19)7(14)11(21-10)12(22)23;1-6-3-4-7(5-17-6)11-9(15)10(16)8(14)12(18-11)13(19)20-2;13-6-8(17)7(14)9(19-10(6)12(20)21)4-1-2-5(11(15)16)18-3-4/h3-5,14H,1-2H3,(H2,20,21);2-3H,1H3,(H2,18,19)(H,20,21);2-4H,1H3,(H2,19,21);2-3H,1H3,(H2,19,21)(H,22,23);3-5H,1-2H3,(H2,16,18);1-3,11H,(H2,17,19)(H,20,21)
• InChIKey: MPWPTVSTNILDGK-UHFFFAOYSA-N
• XLogP: 20.93
• TPSA: 485.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2022.99
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-methoxyphenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (CID 159637118) is 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-methoxyphenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

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

The canonical SMILES for 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-methoxyphenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C)nc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2C(F)F)cc(N)c1Cl.Cc1c(F)c(Cl)cc(F)c1-c1cc(N)c(Cl)c(C(=O)O)n1.Cc1nc(C(F)(F)F)ccc1-c1nc(C(=O)O)c(Cl)c(N)c1F.Nc1c(F)c(-c2ccc(C(F)F)nc2)nc(C(=O)O)c1Cl.

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

The InChIKey is MPWPTVSTNILDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N2O3.C13H8Cl2F2N2O2.2C13H8ClF4N3O2.C13H11ClFN3O2.C12H7ClF3N3O2/c1-23-13-7(16)4-3-6(10(13)14(18)19)9-5-8(20)11(17)12(21-9)15(22)24-2;1-4-9(6(16)2-5(14)11(4)17)8-3-7(18)10(15)12(19-8)13(20)21;1-23-12(22)11-7(14)9(19)8(15)10(21-11)5-2-3-6(20-4-5)13(16,17)18;1-4-5(2-3-6(20-4)13(16,17)18)10-8(15)9(19)7(14)11(21-10)12(22)23;1-6-3-4-7(5-17-6)11-9(15)10(16)8(14)12(18-11)13(19)20-2;13-6-8(17)7(14)9(19-10(6)12(20)21)4-1-2-5(11(15)16)18-3-4/h3-5,14H,1-2H3,(H2,20,21);2-3H,1H3,(H2,18,19)(H,20,21);2-4H,1H3,(H2,19,21);2-3H,1H3,(H2,19,21)(H,22,23);3-5H,1-2H3,(H2,16,18);1-3,11H,(H2,17,19)(H,20,21).

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

4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-methoxyphenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 2022.99 g/mol, XLogP of 20.93, 15 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[6-(difluoromethyl)-3-pyridinyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-methoxyphenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 159637118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).