potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate

C88H57Cl5F7KN16O15S3 — CID 159618551

IUPACpotassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ccn(C(C)=O)c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3sccc3c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3scnc3c2)c(F)c(N)c1Cl.COc1c(N)nc(-c2ccc3sccc3c2)nc1C(=O)O.Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)[O-])c1Cl.Nc1c(F)c(-c2ccc3ccoc3c2)nc(C(=O)O)c1Cl.[K+]
InChIInChI=1S/C17H12ClF2N3O3.C15H10ClFN2O2S.C14H8ClF2N3O2.C14H9ClFN3O2S.C14H8ClFN2O3.C14H11N3O3S.K/c1-7(24)23-6-5-8-3-4-9(11(19)16(8)23)14-12(20)13(21)10(18)15(22-14)17(25)26-2;1-21-15(20)14-10(16)12(18)11(17)13(19-14)8-2-3-9-7(6-8)4-5-22-9;15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16;1-21-14(20)13-9(15)11(17)10(16)12(19-13)6-2-3-8-7(4-6)18-5-22-8;15-9-11(17)10(16)12(18-13(9)14(19)20)7-2-1-6-3-4-21-8(6)5-7;1-20-11-10(14(18)19)16-13(17-12(11)15)8-2-3-9-7(6-8)4-5-21-9;/h3-6H,1-2H3,(H2,21,22);2-6H,1H3,(H2,18,19);1-4,19H,(H2,18,20)(H,21,22);2-5H,1H3,(H2,17,19);1-5H,(H2,17,18)(H,19,20);2-6H,1H3,(H,18,19)(H2,15,16,17);/q;;;;;;+1/p-1
InChIKeyWGLJNRFBZNNUEM-UHFFFAOYSA-M
MW2024.07 g/mol
LogP16.63
Rot. Bonds13

About potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate

potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate (PubChem CID 159618551) has the molecular formula C88H57Cl5F7KN16O15S3 and a molecular weight of 2024.07 g/mol. Its IUPAC name is potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namepotassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate
PubChem CID159618551
Molecular FormulaC88H57Cl5F7KN16O15S3
Molecular Weight2024.07 g/mol
Exact Mass2020.13
IUPAC Namepotassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ccn(C(C)=O)c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3sccc3c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3scnc3c2)c(F)c(N)c1Cl.COc1c(N)nc(-c2ccc3sccc3c2)nc1C(=O)O.Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)[O-])c1Cl.Nc1c(F)c(-c2ccc3ccoc3c2)nc(C(=O)O)c1Cl.[K+]
InChIInChI=1S/C17H12ClF2N3O3.C15H10ClFN2O2S.C14H8ClF2N3O2.C14H9ClFN3O2S.C14H8ClFN2O3.C14H11N3O3S.K/c1-7(24)23-6-5-8-3-4-9(11(19)16(8)23)14-12(20)13(21)10(18)15(22-14)17(25)26-2;1-21-15(20)14-10(16)12(18)11(17)13(19-14)8-2-3-9-7(6-8)4-5-22-9;15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16;1-21-14(20)13-9(15)11(17)10(16)12(19-13)6-2-3-8-7(4-6)18-5-22-8;15-9-11(17)10(16)12(18-13(9)14(19)20)7-2-1-6-3-4-21-8(6)5-7;1-20-11-10(14(18)19)16-13(17-12(11)15)8-2-3-9-7(6-8)4-5-21-9;/h3-6H,1-2H3,(H2,21,22);2-6H,1H3,(H2,18,19);1-4,19H,(H2,18,20)(H,21,22);2-5H,1H3,(H2,17,19);1-5H,(H2,17,18)(H,19,20);2-6H,1H3,(H,18,19)(H2,15,16,17);/q;;;;;;+1/p-1
InChIKeyWGLJNRFBZNNUEM-UHFFFAOYSA-M
XLogP16.63
TPSA513.03 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds13
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002024.07
LogP ≤ 516.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoro-2-pyridinyl]ethanone;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methane;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate
CID 157619503
1-[4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoro-2-pyridinyl]ethanone;1-[6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidin-4-yl]ethanone;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methane;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate
CID 160320982
1-benzofuran;bis(1,3-benzothiazole);1-benzothiophene;bis(1,3-benzoxazole);4-chloro-2-methyl-1H-indene;5H-cyclopenta[b]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;2,4-dimethyl-1H-indene;2,7-dimethyl-3H-inden-5-ol;(2,7-dimethyl-3H-inden-5-yl)methanol;6-ethoxy-2-methyl-1H-indene;imidazo[1,2-a]pyridine;1H-indene;tris(2H-indene);3H-indole;indolizine;2-methyl-1H-indene;4-methyl-1H-indene;2-methyl-3H-inden-5-ol;(2-methyl-3H-inden-5-yl)methanol;7H-purine;1H-pyrrolo[2,3-b]pyridine
CID 160354373
1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-amino-2-(7-fluoro-1-benzofuran-6-yl)-5-methoxypyrimidine-4-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
CID 160402528
4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)pyridine-2-carboxylic acid;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-amino-2-(7-fluoro-1-benzofuran-6-yl)-5-methoxypyrimidine-4-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
CID 160828284

Frequently Asked Questions

What is the IUPAC name of potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate?
The IUPAC name of potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate (CID 159618551) is potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate?
The canonical SMILES for potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3ccn(C(C)=O)c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3sccc3c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3scnc3c2)c(F)c(N)c1Cl.COc1c(N)nc(-c2ccc3sccc3c2)nc1C(=O)O.Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)[O-])c1Cl.Nc1c(F)c(-c2ccc3ccoc3c2)nc(C(=O)O)c1Cl.[K+].
What is the InChIKey of potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate?
The InChIKey is WGLJNRFBZNNUEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H12ClF2N3O3.C15H10ClFN2O2S.C14H8ClF2N3O2.C14H9ClFN3O2S.C14H8ClFN2O3.C14H11N3O3S.K/c1-7(24)23-6-5-8-3-4-9(11(19)16(8)23)14-12(20)13(21)10(18)15(22-14)17(25)26-2;1-21-15(20)14-10(16)12(18)11(17)13(19-14)8-2-3-9-7(6-8)4-5-22-9;15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16;1-21-14(20)13-9(15)11(17)10(16)12(19-13)6-2-3-8-7(4-6)18-5-22-8;15-9-11(17)10(16)12(18-13(9)14(19)20)7-2-1-6-3-4-21-8(6)5-7;1-20-11-10(14(18)19)16-13(17-12(11)15)8-2-3-9-7(6-8)4-5-21-9;/h3-6H,1-2H3,(H2,21,22);2-6H,1H3,(H2,18,19);1-4,19H,(H2,18,20)(H,21,22);2-5H,1H3,(H2,17,19);1-5H,(H2,17,18)(H,19,20);2-6H,1H3,(H,18,19)(H2,15,16,17);/q;;;;;;+1/p-1.
What are the key properties of potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate?
potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate has a molecular weight of 2024.07 g/mol, XLogP of 16.63, 13 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-amino-6-(1-benzofuran-6-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;6-amino-2-(1-benzothiophen-5-yl)-5-methoxypyrimidine-4-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1,3-benzothiazol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(1-benzothiophen-5-yl)-3-chloro-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 159618551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).