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

C62H69Cl2F7N12O18 — CID 160770140

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

4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1-fluoroethyl)-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-ethenyl-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate (PubChem CID 160770140) has the molecular formula C62H69Cl2F7N12O18 and a molecular weight of 1474.19 g/mol. Its IUPAC name is 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1-fluoroethyl)-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-ethenyl-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1-fluoroethyl)-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-ethenyl-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate
• PubChem CID: 160770140
• Molecular Formula: C62H69Cl2F7N12O18
• Molecular Weight: 1474.19 g/mol
• Exact Mass: 1472.41
• IUPAC Name: 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1-fluoroethyl)-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-ethenyl-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate
• SMILES: C=Cc1cc(N)c(OC)c(C(=O)OC)n1.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(N)cc(C(C)(F)F)nc1C(=O)O.COc1c(N)cc(C(C)F)nc1C(=O)O
• InChI: InChI=1S/C14H11Cl2FN2O3.C10H12F2N2O3.C10H13FN2O3.C10H12N2O3.C9H10F2N2O3.C9H11FN2O3/c1-21-13-10(18)9(17)11(19-12(13)14(20)22-2)6-3-4-7(15)8(16)5-6;1-10(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;1-4-6-5-7(11)9(14-2)8(12-6)10(13)15-3;1-9(10,11)5-3-4(12)7(16-2)6(13-5)8(14)15;1-4(10)6-3-5(11)8(15-2)7(12-6)9(13)14/h3-5H,1-2H3,(H2,18,19);4H,1-3H3,(H2,13,14);4-5H,1-3H3,(H2,12,13);4-5H,1H2,2-3H3,(H2,11,12);3H,1-2H3,(H2,12,13)(H,14,15);3-4H,1-2H3,(H2,11,12)(H,13,14)
• InChIKey: RZEYYIRHOUATDH-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 468.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1474.19
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

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-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1-fluoroethyl)-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-ethenyl-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate?

The IUPAC name of 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1-fluoroethyl)-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-ethenyl-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate (CID 160770140) is 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1-fluoroethyl)-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-ethenyl-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate.

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

The canonical SMILES for 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1-fluoroethyl)-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-ethenyl-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate is C=Cc1cc(N)c(OC)c(C(=O)OC)n1.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(N)cc(C(C)(F)F)nc1C(=O)O.COc1c(N)cc(C(C)F)nc1C(=O)O.

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

The InChIKey is RZEYYIRHOUATDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O3.C10H12F2N2O3.C10H13FN2O3.C10H12N2O3.C9H10F2N2O3.C9H11FN2O3/c1-21-13-10(18)9(17)11(19-12(13)14(20)22-2)6-3-4-7(15)8(16)5-6;1-10(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;1-4-6-5-7(11)9(14-2)8(12-6)10(13)15-3;1-9(10,11)5-3-4(12)7(16-2)6(13-5)8(14)15;1-4(10)6-3-5(11)8(15-2)7(12-6)9(13)14/h3-5H,1-2H3,(H2,18,19);4H,1-3H3,(H2,13,14);4-5H,1-3H3,(H2,12,13);4-5H,1H2,2-3H3,(H2,11,12);3H,1-2H3,(H2,12,13)(H,14,15);3-4H,1-2H3,(H2,11,12)(H,13,14).

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

4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1-fluoroethyl)-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-ethenyl-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate has a molecular weight of 1474.19 g/mol, XLogP of 10.62, 18 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-(1,1-difluoroethyl)-3-methoxypyridine-2-carboxylic acid;4-amino-6-(1-fluoroethyl)-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-ethenyl-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(1-fluoroethyl)-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 160770140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).