4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate

C79H53Cl6F15N12O13 — CID 162067951

About 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate

4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate (PubChem CID 162067951) has the molecular formula C79H53Cl6F15N12O13 and a molecular weight of 1876.05 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate
• PubChem CID: 162067951
• Molecular Formula: C79H53Cl6F15N12O13
• Molecular Weight: 1876.05 g/mol
• Exact Mass: 1872.17
• IUPAC Name: 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2cc(F)c(C)cc2F)cc(N)c1Cl.COC(=O)c1nc(-c2cc(F)c(OC(F)F)cc2F)cc(N)c1Cl.COC(=O)c1nc(-c2cccc(F)c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccccc2)c(F)c(N)c1Cl.Nc1c(F)c(-c2cc(F)c(C(F)F)cc2F)nc(C(=O)O)c1Cl.Nc1c(F)c(-c2ccccc2)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C14H9ClF4N2O3.C14H11ClF2N2O2.C13H6ClF5N2O2.C13H9ClF2N2O2.C13H10ClFN2O2.C12H8ClFN2O2/c1-23-13(22)12-11(15)8(20)4-9(21-12)5-2-7(17)10(3-6(5)16)24-14(18)19;1-6-3-9(17)7(4-8(6)16)11-5-10(18)12(15)13(19-11)14(20)21-2;14-7-9(20)8(17)10(21-11(7)13(22)23)3-1-6(16)4(12(18)19)2-5(3)15;1-20-13(19)12-8(14)10(17)9(16)11(18-12)6-3-2-4-7(15)5-6;1-19-13(18)12-8(14)10(16)9(15)11(17-12)7-5-3-2-4-6-7;13-7-9(15)8(14)10(16-11(7)12(17)18)6-4-2-1-3-5-6/h2-4,14H,1H3,(H2,20,21);3-5H,1-2H3,(H2,18,19);1-2,12H,(H2,20,21)(H,22,23);2-5H,1H3,(H2,17,18);2-6H,1H3,(H2,16,17);1-5H,(H2,15,16)(H,17,18)
• InChIKey: ZARVJSUJOZVGPR-UHFFFAOYSA-N
• XLogP: 19.83
• TPSA: 422.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1876.05
LogP ≤ 5	19.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate (CID 162067951) is 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate.

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

The canonical SMILES for 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate is COC(=O)c1nc(-c2cc(F)c(C)cc2F)cc(N)c1Cl.COC(=O)c1nc(-c2cc(F)c(OC(F)F)cc2F)cc(N)c1Cl.COC(=O)c1nc(-c2cccc(F)c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccccc2)c(F)c(N)c1Cl.Nc1c(F)c(-c2cc(F)c(C(F)F)cc2F)nc(C(=O)O)c1Cl.Nc1c(F)c(-c2ccccc2)nc(C(=O)O)c1Cl.

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

The InChIKey is ZARVJSUJOZVGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N2O3.C14H11ClF2N2O2.C13H6ClF5N2O2.C13H9ClF2N2O2.C13H10ClFN2O2.C12H8ClFN2O2/c1-23-13(22)12-11(15)8(20)4-9(21-12)5-2-7(17)10(3-6(5)16)24-14(18)19;1-6-3-9(17)7(4-8(6)16)11-5-10(18)12(15)13(19-11)14(20)21-2;14-7-9(20)8(17)10(21-11(7)13(22)23)3-1-6(16)4(12(18)19)2-5(3)15;1-20-13(19)12-8(14)10(17)9(16)11(18-12)6-3-2-4-7(15)5-6;1-19-13(18)12-8(14)10(16)9(15)11(17-12)7-5-3-2-4-6-7;13-7-9(15)8(14)10(16-11(7)12(17)18)6-4-2-1-3-5-6/h2-4,14H,1H3,(H2,20,21);3-5H,1-2H3,(H2,18,19);1-2,12H,(H2,20,21)(H,22,23);2-5H,1H3,(H2,17,18);2-6H,1H3,(H2,16,17);1-5H,(H2,15,16)(H,17,18).

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

4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate has a molecular weight of 1876.05 g/mol, XLogP of 19.83, 15 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate is sourced from PubChem (CID 162067951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).