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

C82H58Cl5F15N14O13 — CID 160891788

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

4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyano-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate (PubChem CID 160891788) has the molecular formula C82H58Cl5F15N14O13 and a molecular weight of 1909.69 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyano-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyano-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate
• PubChem CID: 160891788
• Molecular Formula: C82H58Cl5F15N14O13
• Molecular Weight: 1909.69 g/mol
• Exact Mass: 1906.25
• IUPAC Name: 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyano-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate
• SMILES: COC(=O)c1nc(-c2cc(F)c(C#N)cc2F)nc(N)c1OC.COC(=O)c1nc(-c2ccc(C(F)F)cc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C)c(F)c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C)c(F)c2F)c(F)c(N)c1Cl.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c(F)c1F.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1F
• InChI: InChI=1S/2C14H10ClF3N2O2.C14H11ClF2N2O2.C14H10F2N4O3.C13H8ClF3N2O2.C13H9ClF2N2O2/c1-5-3-4-6(9(17)8(5)16)12-10(18)11(19)7(15)13(20-12)14(21)22-2;1-22-14(21)12-8(15)10(19)9(16)11(20-12)6-2-4-7(5-3-6)13(17)18;1-6-3-4-7(5-8(6)16)12-10(17)11(18)9(15)13(19-12)14(20)21-2;1-22-11-10(14(21)23-2)19-13(20-12(11)18)7-4-8(15)6(5-17)3-9(7)16;1-4-2-3-5(8(16)7(4)15)11-9(17)10(18)6(14)12(19-11)13(20)21;1-5-2-3-6(4-7(5)15)11-9(16)10(17)8(14)12(18-11)13(19)20/h3-4H,1-2H3,(H2,19,20);2-5,13H,1H3,(H2,19,20);3-5H,1-2H3,(H2,18,19);3-4H,1-2H3,(H2,18,19,20);2-3H,1H3,(H2,18,19)(H,20,21);2-4H,1H3,(H2,17,18)(H,19,20)
• InChIKey: SOJCSHWMGSLJNS-UHFFFAOYSA-N
• XLogP: 19.05
• TPSA: 459.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1909.69
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyano-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate?

The IUPAC name of 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyano-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate (CID 160891788) is 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyano-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate.

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

The canonical SMILES for 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyano-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate is COC(=O)c1nc(-c2cc(F)c(C#N)cc2F)nc(N)c1OC.COC(=O)c1nc(-c2ccc(C(F)F)cc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C)c(F)c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C)c(F)c2F)c(F)c(N)c1Cl.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c(F)c1F.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1F.

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

The InChIKey is SOJCSHWMGSLJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10ClF3N2O2.C14H11ClF2N2O2.C14H10F2N4O3.C13H8ClF3N2O2.C13H9ClF2N2O2/c1-5-3-4-6(9(17)8(5)16)12-10(18)11(19)7(15)13(20-12)14(21)22-2;1-22-14(21)12-8(15)10(19)9(16)11(20-12)6-2-4-7(5-3-6)13(17)18;1-6-3-4-7(5-8(6)16)12-10(17)11(18)9(15)13(19-12)14(20)21-2;1-22-11-10(14(21)23-2)19-13(20-12(11)18)7-4-8(15)6(5-17)3-9(7)16;1-4-2-3-5(8(16)7(4)15)11-9(17)10(18)6(14)12(19-11)13(20)21;1-5-2-3-6(4-7(5)15)11-9(16)10(17)8(14)12(18-11)13(19)20/h3-4H,1-2H3,(H2,19,20);2-5,13H,1H3,(H2,19,20);3-5H,1-2H3,(H2,18,19);3-4H,1-2H3,(H2,18,19,20);2-3H,1H3,(H2,18,19)(H,20,21);2-4H,1H3,(H2,17,18)(H,19,20).

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

4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyano-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate has a molecular weight of 1909.69 g/mol, XLogP of 19.05, 14 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyano-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 160891788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).