4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate

C80H52Br3Cl6F7IN13O13 — CID 157338879

IUPAC4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate
SMILESC#Cc1ccc(-c2cc(N)c(Cl)c(C(=O)OC)n2)cc1.C#Cc1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)c(F)c1.COC(=O)c1nc(-c2cc(F)c(Br)cc2F)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Br)c(F)c2F)nc(N)c1OC.Nc1c(Cl)c(C(=O)O)nc(-c2ccc(Br)cc2)c1Cl.Nc1cc(-c2ccc(I)cc2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C15H9ClF2N2O2.C15H11ClN2O2.C13H8BrClF2N2O2.C13H10BrF2N3O3.C12H7BrCl2N2O2.C12H7ClFIN2O2/c1-3-7-4-5-8(9(17)6-7)13-11(18)12(19)10(16)14(20-13)15(21)22-2;1-3-9-4-6-10(7-5-9)12-8-11(17)13(16)14(18-12)15(19)20-2;1-21-13(20)12-11(15)9(18)4-10(19-12)5-2-8(17)6(14)3-7(5)16;1-21-10-9(13(20)22-2)18-12(19-11(10)17)5-3-4-6(14)8(16)7(5)15;13-6-3-1-5(2-4-6)10-7(14)9(16)8(15)11(17-10)12(18)19;13-10-8(16)4-9(17-11(10)12(18)19)6-2-1-5(15)3-7(6)14/h1,4-6H,2H3,(H2,19,20);1,4-8H,2H3,(H2,17,18);2-4H,1H3,(H2,18,19);3-4H,1-2H3,(H2,17,18,19);2*1-4H,(H2,16,17)(H,18,19)
InChIKeyBGDWPLYNVNESQT-UHFFFAOYSA-N
MW2115.69 g/mol
LogP19.68
Rot. Bonds13

About 4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate

4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate (PubChem CID 157338879) has the molecular formula C80H52Br3Cl6F7IN13O13 and a molecular weight of 2115.69 g/mol. Its IUPAC name is 4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate
PubChem CID157338879
Molecular FormulaC80H52Br3Cl6F7IN13O13
Molecular Weight2115.69 g/mol
Exact Mass2108.84
IUPAC Name4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate
SMILESC#Cc1ccc(-c2cc(N)c(Cl)c(C(=O)OC)n2)cc1.C#Cc1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)c(F)c1.COC(=O)c1nc(-c2cc(F)c(Br)cc2F)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Br)c(F)c2F)nc(N)c1OC.Nc1c(Cl)c(C(=O)O)nc(-c2ccc(Br)cc2)c1Cl.Nc1cc(-c2ccc(I)cc2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C15H9ClF2N2O2.C15H11ClN2O2.C13H8BrClF2N2O2.C13H10BrF2N3O3.C12H7BrCl2N2O2.C12H7ClFIN2O2/c1-3-7-4-5-8(9(17)6-7)13-11(18)12(19)10(16)14(20-13)15(21)22-2;1-3-9-4-6-10(7-5-9)12-8-11(17)13(16)14(18-12)15(19)20-2;1-21-13(20)12-11(15)9(18)4-10(19-12)5-2-8(17)6(14)3-7(5)16;1-21-10-9(13(20)22-2)18-12(19-11(10)17)5-3-4-6(14)8(16)7(5)15;13-6-3-1-5(2-4-6)10-7(14)9(16)8(15)11(17-10)12(18)19;13-10-8(16)4-9(17-11(10)12(18)19)6-2-1-5(15)3-7(6)14/h1,4-6H,2H3,(H2,19,20);1,4-8H,2H3,(H2,17,18);2-4H,1H3,(H2,18,19);3-4H,1-2H3,(H2,17,18,19);2*1-4H,(H2,16,17)(H,18,19)
InChIKeyBGDWPLYNVNESQT-UHFFFAOYSA-N
XLogP19.68
TPSA435.38 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002115.69
LogP ≤ 519.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate?
The IUPAC name of 4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate (CID 157338879) is 4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for 4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate?
The canonical SMILES for 4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate is C#Cc1ccc(-c2cc(N)c(Cl)c(C(=O)OC)n2)cc1.C#Cc1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)c(F)c1.COC(=O)c1nc(-c2cc(F)c(Br)cc2F)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Br)c(F)c2F)nc(N)c1OC.Nc1c(Cl)c(C(=O)O)nc(-c2ccc(Br)cc2)c1Cl.Nc1cc(-c2ccc(I)cc2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate?
The InChIKey is BGDWPLYNVNESQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2.C15H11ClN2O2.C13H8BrClF2N2O2.C13H10BrF2N3O3.C12H7BrCl2N2O2.C12H7ClFIN2O2/c1-3-7-4-5-8(9(17)6-7)13-11(18)12(19)10(16)14(20-13)15(21)22-2;1-3-9-4-6-10(7-5-9)12-8-11(17)13(16)14(18-12)15(19)20-2;1-21-13(20)12-11(15)9(18)4-10(19-12)5-2-8(17)6(14)3-7(5)16;1-21-10-9(13(20)22-2)18-12(19-11(10)17)5-3-4-6(14)8(16)7(5)15;13-6-3-1-5(2-4-6)10-7(14)9(16)8(15)11(17-10)12(18)19;13-10-8(16)4-9(17-11(10)12(18)19)6-2-1-5(15)3-7(6)14/h1,4-6H,2H3,(H2,19,20);1,4-8H,2H3,(H2,17,18);2-4H,1H3,(H2,18,19);3-4H,1-2H3,(H2,17,18,19);2*1-4H,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate?
4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate has a molecular weight of 2115.69 g/mol, XLogP of 19.68, 13 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-bromophenyl)-3,5-dichloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylate;methyl 6-amino-2-(4-bromo-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-2-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 157338879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).