5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate

C170H132Cl4F2N24O45S7 — CID 159440677

IUPAC5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Cl)cn1.COC(=O)c1ccc(C(=O)O)cn1.COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)cn1.COC(=O)c1cccc(C(=O)Cl)n1.COC(=O)c1cccc(C(=O)O)n1.COC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.COC(=O)c1csc(C(=O)Cl)c1.COC(=O)c1csc(C(=O)O)c1.COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)c1.COC(=O)c1nsc(C(=O)Cl)n1.COC(=O)c1nsc(C(=O)O)n1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(F)cc23)n1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(OC)cc23)n1.Fc1ccc2[nH]ccc2c1.Oc1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/2C16H12N2O3.C15H11NO3S.C14H11N3O4S.C13H8FN3O3S.2C8H6ClNO3.C8H6FN.2C8H7NO4.C8H7NO.3C8H7N.C7H5ClO3S.C7H6O4S.C5H3ClN2O3S.C5H4N2O4S/c1-21-16(20)14-8-4-7-13(18-14)15(19)11-9-17-12-6-3-2-5-10(11)12;1-21-16(20)14-7-6-10(8-17-14)15(19)12-9-18-13-5-3-2-4-11(12)13;1-19-15(18)9-6-13(20-8-9)14(17)11-7-16-12-5-3-2-4-10(11)12;1-20-7-3-4-10-8(5-7)9(6-15-10)11(18)13-16-12(17-22-13)14(19)21-2;1-20-13(19)11-16-12(21-17-11)10(18)8-5-15-9-3-2-6(14)4-7(8)9;1-13-8(12)6-3-2-5(4-10-6)7(9)11;1-13-8(12)6-4-2-3-5(10-6)7(9)11;9-7-1-2-8-6(5-7)3-4-10-8;1-13-8(12)6-3-2-5(4-9-6)7(10)11;1-13-8(12)6-4-2-3-5(9-6)7(10)11;10-7-1-2-8-6(5-7)3-4-9-8;3*1-2-4-8-7(3-1)5-6-9-8;2*1-11-7(10)4-2-5(6(8)9)12-3-4;1-11-5(10)3-7-4(2(6)9)12-8-3;1-11-5(10)2-6-3(4(8)9)12-7-2/h2-9,17H,1H3;2-9,18H,1H3;2-8,16H,1H3;3-6,15H,1-2H3;2-5,15H,1H3;2*2-4H,1H3;1-5,10H;2*2-4H,1H3,(H,10,11);1-5,9-10H;3*1-6,9H;2-3H,1H3;2-3H,1H3,(H,8,9);1H3;1H3,(H,8,9)
InChIKeyLSDAWGZGPCYADI-UHFFFAOYSA-N
MW3635.33 g/mol
LogP30.81
Rot. Bonds32

About 5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate

5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate (PubChem CID 159440677) has the molecular formula C170H132Cl4F2N24O45S7 and a molecular weight of 3635.33 g/mol. Its IUPAC name is 5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate.

Molecular Properties

Compound Name5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate
PubChem CID159440677
Molecular FormulaC170H132Cl4F2N24O45S7
Molecular Weight3635.33 g/mol
Exact Mass3630.55
IUPAC Name5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Cl)cn1.COC(=O)c1ccc(C(=O)O)cn1.COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)cn1.COC(=O)c1cccc(C(=O)Cl)n1.COC(=O)c1cccc(C(=O)O)n1.COC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.COC(=O)c1csc(C(=O)Cl)c1.COC(=O)c1csc(C(=O)O)c1.COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)c1.COC(=O)c1nsc(C(=O)Cl)n1.COC(=O)c1nsc(C(=O)O)n1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(F)cc23)n1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(OC)cc23)n1.Fc1ccc2[nH]ccc2c1.Oc1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/2C16H12N2O3.C15H11NO3S.C14H11N3O4S.C13H8FN3O3S.2C8H6ClNO3.C8H6FN.2C8H7NO4.C8H7NO.3C8H7N.C7H5ClO3S.C7H6O4S.C5H3ClN2O3S.C5H4N2O4S/c1-21-16(20)14-8-4-7-13(18-14)15(19)11-9-17-12-6-3-2-5-10(11)12;1-21-16(20)14-7-6-10(8-17-14)15(19)12-9-18-13-5-3-2-4-11(12)13;1-19-15(18)9-6-13(20-8-9)14(17)11-7-16-12-5-3-2-4-10(11)12;1-20-7-3-4-10-8(5-7)9(6-15-10)11(18)13-16-12(17-22-13)14(19)21-2;1-20-13(19)11-16-12(21-17-11)10(18)8-5-15-9-3-2-6(14)4-7(8)9;1-13-8(12)6-3-2-5(4-10-6)7(9)11;1-13-8(12)6-4-2-3-5(10-6)7(9)11;9-7-1-2-8-6(5-7)3-4-10-8;1-13-8(12)6-3-2-5(4-9-6)7(10)11;1-13-8(12)6-4-2-3-5(9-6)7(10)11;10-7-1-2-8-6(5-7)3-4-9-8;3*1-2-4-8-7(3-1)5-6-9-8;2*1-11-7(10)4-2-5(6(8)9)12-3-4;1-11-5(10)3-7-4(2(6)9)12-8-3;1-11-5(10)2-6-3(4(8)9)12-7-2/h2-9,17H,1H3;2-9,18H,1H3;2-8,16H,1H3;3-6,15H,1-2H3;2-5,15H,1H3;2*2-4H,1H3;1-5,10H;2*2-4H,1H3,(H,10,11);1-5,9-10H;3*1-6,9H;2-3H,1H3;2-3H,1H3,(H,8,9);1H3;1H3,(H,8,9)
InChIKeyLSDAWGZGPCYADI-UHFFFAOYSA-N
XLogP30.81
TPSA1012.55 Ų
H-Bond Donors15
H-Bond Acceptors62
Rotatable Bonds32
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003635.33
LogP ≤ 530.81
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

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

Analyze 5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate with MolForge

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Related Compounds

bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate
CID 157314085
5-fluoro-1H-indole;bis(1H-indole);1H-indol-5-ol;5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;methyl 5-carbonochloridoyl-1-methylpyrrole-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-2-carboxylate
CID 158495312

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate?
The IUPAC name of 5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate (CID 159440677) is 5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate.
What is the SMILES notation for 5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate?
The canonical SMILES for 5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate is COC(=O)c1ccc(C(=O)Cl)cn1.COC(=O)c1ccc(C(=O)O)cn1.COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)cn1.COC(=O)c1cccc(C(=O)Cl)n1.COC(=O)c1cccc(C(=O)O)n1.COC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.COC(=O)c1csc(C(=O)Cl)c1.COC(=O)c1csc(C(=O)O)c1.COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)c1.COC(=O)c1nsc(C(=O)Cl)n1.COC(=O)c1nsc(C(=O)O)n1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(F)cc23)n1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(OC)cc23)n1.Fc1ccc2[nH]ccc2c1.Oc1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.
What is the InChIKey of 5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate?
The InChIKey is LSDAWGZGPCYADI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12N2O3.C15H11NO3S.C14H11N3O4S.C13H8FN3O3S.2C8H6ClNO3.C8H6FN.2C8H7NO4.C8H7NO.3C8H7N.C7H5ClO3S.C7H6O4S.C5H3ClN2O3S.C5H4N2O4S/c1-21-16(20)14-8-4-7-13(18-14)15(19)11-9-17-12-6-3-2-5-10(11)12;1-21-16(20)14-7-6-10(8-17-14)15(19)12-9-18-13-5-3-2-4-11(12)13;1-19-15(18)9-6-13(20-8-9)14(17)11-7-16-12-5-3-2-4-10(11)12;1-20-7-3-4-10-8(5-7)9(6-15-10)11(18)13-16-12(17-22-13)14(19)21-2;1-20-13(19)11-16-12(21-17-11)10(18)8-5-15-9-3-2-6(14)4-7(8)9;1-13-8(12)6-3-2-5(4-10-6)7(9)11;1-13-8(12)6-4-2-3-5(10-6)7(9)11;9-7-1-2-8-6(5-7)3-4-10-8;1-13-8(12)6-3-2-5(4-9-6)7(10)11;1-13-8(12)6-4-2-3-5(9-6)7(10)11;10-7-1-2-8-6(5-7)3-4-9-8;3*1-2-4-8-7(3-1)5-6-9-8;2*1-11-7(10)4-2-5(6(8)9)12-3-4;1-11-5(10)3-7-4(2(6)9)12-8-3;1-11-5(10)2-6-3(4(8)9)12-7-2/h2-9,17H,1H3;2-9,18H,1H3;2-8,16H,1H3;3-6,15H,1-2H3;2-5,15H,1H3;2*2-4H,1H3;1-5,10H;2*2-4H,1H3,(H,10,11);1-5,9-10H;3*1-6,9H;2-3H,1H3;2-3H,1H3,(H,8,9);1H3;1H3,(H,8,9).
What are the key properties of 5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate?
5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate has a molecular weight of 3635.33 g/mol, XLogP of 30.81, 32 rotatable bonds, 15 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-indole;tris(1H-indole);1H-indol-5-ol;6-methoxycarbonylpyridine-2-carboxylic acid;6-methoxycarbonylpyridine-3-carboxylic acid;3-methoxycarbonyl-1,2,4-thiadiazole-5-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoyl-1,2,4-thiadiazole-3-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate is sourced from PubChem (CID 159440677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).