4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate

C77H55BrCl7F9IN15O12 — CID 159907268

About 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate

4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate (PubChem CID 159907268) has the molecular formula C77H55BrCl7F9IN15O12 and a molecular weight of 2008.34 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate
• PubChem CID: 159907268
• Molecular Formula: C77H55BrCl7F9IN15O12
• Molecular Weight: 2008.34 g/mol
• Exact Mass: 2003.01
• IUPAC Name: 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate
• SMILES: CCc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(Cl)c1F.COC(=O)c1nc(-c2ccc(Br)nc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(F)nc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(I)nc2)c(F)c(N)c1Cl.Cc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(F)c1F.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c(C)c1F
• InChI: InChI=1S/C14H11Cl2FN2O2.C14H11ClF2N2O2.C13H9ClF2N2O2.C12H8BrClFN3O2.C12H8ClF2N3O2.C12H8ClFIN3O2/c1-2-6-7(3-4-8(15)12(6)17)10-5-9(18)11(16)13(19-10)14(20)21;1-5-3-4-7(6(2)9(5)16)12-10(17)11(18)8(15)13(19-12)14(20)21;1-5-6(2-3-7(15)11(5)16)9-4-8(17)10(14)12(18-9)13(19)20;1-20-12(19)11-7(14)9(16)8(15)10(18-11)5-2-3-6(13)17-4-5;1-20-12(19)11-7(13)9(16)8(15)10(18-11)5-2-3-6(14)17-4-5;1-20-12(19)11-7(13)9(16)8(14)10(18-11)5-2-3-6(15)17-4-5/h3-5H,2H2,1H3,(H2,18,19)(H,20,21);3-4H,1-2H3,(H2,18,19)(H,20,21);2-4H,1H3,(H2,17,18)(H,19,20);3*2-4H,1H3,(H2,16,18)
• InChIKey: NWSTYCOOROTGOO-UHFFFAOYSA-N
• XLogP: 19.30
• TPSA: 462.93 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2008.34
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate?

The IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate (CID 159907268) is 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate.

What is the SMILES notation for 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate?

The canonical SMILES for 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate is CCc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(Cl)c1F.COC(=O)c1nc(-c2ccc(Br)nc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(F)nc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(I)nc2)c(F)c(N)c1Cl.Cc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(F)c1F.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c(C)c1F.

What is the InChIKey of 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate?

The InChIKey is NWSTYCOOROTGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O2.C14H11ClF2N2O2.C13H9ClF2N2O2.C12H8BrClFN3O2.C12H8ClF2N3O2.C12H8ClFIN3O2/c1-2-6-7(3-4-8(15)12(6)17)10-5-9(18)11(16)13(19-10)14(20)21;1-5-3-4-7(6(2)9(5)16)12-10(17)11(18)8(15)13(19-12)14(20)21;1-5-6(2-3-7(15)11(5)16)9-4-8(17)10(14)12(18-9)13(19)20;1-20-12(19)11-7(14)9(16)8(15)10(18-11)5-2-3-6(13)17-4-5;1-20-12(19)11-7(13)9(16)8(15)10(18-11)5-2-3-6(14)17-4-5;1-20-12(19)11-7(13)9(16)8(14)10(18-11)5-2-3-6(15)17-4-5/h3-5H,2H2,1H3,(H2,18,19)(H,20,21);3-4H,1-2H3,(H2,18,19)(H,20,21);2-4H,1H3,(H2,17,18)(H,19,20);3*2-4H,1H3,(H2,16,18).

What are the key properties of 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate?

4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate has a molecular weight of 2008.34 g/mol, XLogP of 19.30, 13 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(6-iodo-3-pyridinyl)pyridine-2-carboxylate is sourced from PubChem (CID 159907268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).