4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate

C56H55Cl4F7N10O15 — CID 160743184

About 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate

4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate (PubChem CID 160743184) has the molecular formula C56H55Cl4F7N10O15 and a molecular weight of 1382.91 g/mol. Its IUPAC name is 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate
• PubChem CID: 160743184
• Molecular Formula: C56H55Cl4F7N10O15
• Molecular Weight: 1382.91 g/mol
• Exact Mass: 1380.25
• IUPAC Name: 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)c(F)c(N)c1OC.COC(=O)c1nc(C(C)(F)F)cc(N)c1OC.COC(=O)c1nc(C(C)F)cc(N)c1OC.COc1c(C(=O)O)nc(-c2ccc(Cl)c(Cl)c2)c(F)c1N.COc1c(N)cc(C(C)(F)F)nc1C(=O)O
• InChI: InChI=1S/C14H11Cl2FN2O3.C13H9Cl2FN2O3.C10H12F2N2O3.C10H13FN2O3.C9H10F2N2O3/c1-21-13-10(18)9(17)11(19-12(13)14(20)22-2)6-3-4-7(15)8(16)5-6;1-21-12-9(17)8(16)10(18-11(12)13(19)20)5-2-3-6(14)7(15)4-5;1-10(11,12)6-4-5(13)8(16-2)7(14-6)9(15)17-3;1-5(11)7-4-6(12)9(15-2)8(13-7)10(14)16-3;1-9(10,11)5-3-4(12)7(16-2)6(13-5)8(14)15/h3-5H,1-2H3,(H2,18,19);2-4H,1H3,(H2,17,18)(H,19,20);4H,1-3H3,(H2,13,14);4-5H,1-3H3,(H2,12,13);3H,1-2H3,(H2,12,13)(H,14,15)
• InChIKey: RVVXVOMUVUQBHF-UHFFFAOYSA-N
• XLogP: 11.60
• TPSA: 394.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1382.91
LogP ≤ 5	11.60
H-Bond Donors ≤ 5	7
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-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate?

The IUPAC name of 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate (CID 160743184) is 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate.

What is the SMILES notation for 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate?

The canonical SMILES for 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)c(F)c(N)c1OC.COC(=O)c1nc(C(C)(F)F)cc(N)c1OC.COC(=O)c1nc(C(C)F)cc(N)c1OC.COc1c(C(=O)O)nc(-c2ccc(Cl)c(Cl)c2)c(F)c1N.COc1c(N)cc(C(C)(F)F)nc1C(=O)O.

What is the InChIKey of 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate?

The InChIKey is RVVXVOMUVUQBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O3.C13H9Cl2FN2O3.C10H12F2N2O3.C10H13FN2O3.C9H10F2N2O3/c1-21-13-10(18)9(17)11(19-12(13)14(20)22-2)6-3-4-7(15)8(16)5-6;1-21-12-9(17)8(16)10(18-11(12)13(19)20)5-2-3-6(14)7(15)4-5;1-10(11,12)6-4-5(13)8(16-2)7(14-6)9(15)17-3;1-5(11)7-4-6(12)9(15-2)8(13-7)10(14)16-3;1-9(10,11)5-3-4(12)7(16-2)6(13-5)8(14)15/h3-5H,1-2H3,(H2,18,19);2-4H,1H3,(H2,17,18)(H,19,20);4H,1-3H3,(H2,13,14);4-5H,1-3H3,(H2,12,13);3H,1-2H3,(H2,12,13)(H,14,15).

What are the key properties of 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate?

4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate has a molecular weight of 1382.91 g/mol, XLogP of 11.60, 15 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(3,4-dichlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 160743184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).