2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid

C190H183ClF2N22O29S13 — CID 158006916

About 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid

2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid (PubChem CID 158006916) has the molecular formula C190H183ClF2N22O29S13 and a molecular weight of 3729.00 g/mol. Its IUPAC name is 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid.

Molecular Properties

• Compound Name: 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
• PubChem CID: 158006916
• Molecular Formula: C190H183ClF2N22O29S13
• Molecular Weight: 3729.00 g/mol
• Exact Mass: 3724.95
• IUPAC Name: 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
• SMILES: CC(C)(Sc1ccncc1-c1ccc(C#N)c(Cl)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C#N)cc1F)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C(=O)O)cc1F)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(CC#N)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(N)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccnc2ccccc12)C(=O)O.CC(C)(Sc1ccncc1-c1ccncc1)C(=O)O.CN(C)c1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.COc1cc(-c2cnccc2SC(C)(C)C(=O)O)ccc1C#N.COc1ncc(-c2cnccc2SC(C)(C)C(=O)O)cn1
• InChI: InChI=1S/C18H16N2O2S.C17H16N2O3S.C17H20N2O2S.C17H16N2O2S.C16H13ClN2O2S.C16H13FN2O2S.C16H14FNO4S.C15H16N2O2S.C15H15NO3S.C15H15NO2S2.C14H15N3O3S.C14H14N2O2S/c1-18(2,17(21)22)23-16-8-9-19-11-14(16)12-7-10-20-15-6-4-3-5-13(12)15;1-17(2,16(20)21)23-15-6-7-19-10-13(15)11-4-5-12(9-18)14(8-11)22-3;1-17(2,16(20)21)22-15-9-10-18-11-14(15)12-5-7-13(8-6-12)19(3)4;1-17(2,16(20)21)22-15-8-10-19-11-14(15)13-5-3-12(4-6-13)7-9-18;1-16(2,15(20)21)22-14-5-6-19-9-12(14)10-3-4-11(8-18)13(17)7-10;1-16(2,15(20)21)22-14-5-6-19-9-12(14)11-4-3-10(8-18)7-13(11)17;1-16(2,15(21)22)23-13-5-6-18-8-11(13)10-4-3-9(14(19)20)7-12(10)17;1-15(2,14(18)19)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-15(2,14(18)19)20-13-7-8-16-9-12(13)10-3-5-11(17)6-4-10;1-15(2,14(17)18)20-13-7-8-16-9-12(13)10-3-5-11(19)6-4-10;1-14(2,12(18)19)21-11-4-5-15-8-10(11)9-6-16-13(20-3)17-7-9;1-14(2,13(17)18)19-12-5-8-16-9-11(12)10-3-6-15-7-4-10/h3-11H,1-2H3,(H,21,22);4-8,10H,1-3H3,(H,20,21);5-11H,1-4H3,(H,20,21);3-6,8,10-11H,7H2,1-2H3,(H,20,21);2*3-7,9H,1-2H3,(H,20,21);3-8H,1-2H3,(H,19,20)(H,21,22);3-9H,16H2,1-2H3,(H,18,19);3-9,17H,1-2H3,(H,18,19);3-9,19H,1-2H3,(H,17,18);4-8H,1-3H3,(H,18,19);3-9H,1-2H3,(H,17,18)
• InChIKey: FEKCEDRRTSYRCW-UHFFFAOYSA-N
• XLogP: 43.15
• TPSA: 854.25 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 51
• Rotatable Bonds: 53
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3729.00
LogP ≤ 5	43.15
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?

The IUPAC name of 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid (CID 158006916) is 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid.

What is the SMILES notation for 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?

The canonical SMILES for 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid is CC(C)(Sc1ccncc1-c1ccc(C#N)c(Cl)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C#N)cc1F)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C(=O)O)cc1F)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(CC#N)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(N)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccnc2ccccc12)C(=O)O.CC(C)(Sc1ccncc1-c1ccncc1)C(=O)O.CN(C)c1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.COc1cc(-c2cnccc2SC(C)(C)C(=O)O)ccc1C#N.COc1ncc(-c2cnccc2SC(C)(C)C(=O)O)cn1.

What is the InChIKey of 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?

The InChIKey is FEKCEDRRTSYRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S.C17H16N2O3S.C17H20N2O2S.C17H16N2O2S.C16H13ClN2O2S.C16H13FN2O2S.C16H14FNO4S.C15H16N2O2S.C15H15NO3S.C15H15NO2S2.C14H15N3O3S.C14H14N2O2S/c1-18(2,17(21)22)23-16-8-9-19-11-14(16)12-7-10-20-15-6-4-3-5-13(12)15;1-17(2,16(20)21)23-15-6-7-19-10-13(15)11-4-5-12(9-18)14(8-11)22-3;1-17(2,16(20)21)22-15-9-10-18-11-14(15)12-5-7-13(8-6-12)19(3)4;1-17(2,16(20)21)22-15-8-10-19-11-14(15)13-5-3-12(4-6-13)7-9-18;1-16(2,15(20)21)22-14-5-6-19-9-12(14)10-3-4-11(8-18)13(17)7-10;1-16(2,15(20)21)22-14-5-6-19-9-12(14)11-4-3-10(8-18)7-13(11)17;1-16(2,15(21)22)23-13-5-6-18-8-11(13)10-4-3-9(14(19)20)7-12(10)17;1-15(2,14(18)19)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-15(2,14(18)19)20-13-7-8-16-9-12(13)10-3-5-11(17)6-4-10;1-15(2,14(17)18)20-13-7-8-16-9-12(13)10-3-5-11(19)6-4-10;1-14(2,12(18)19)21-11-4-5-15-8-10(11)9-6-16-13(20-3)17-7-9;1-14(2,13(17)18)19-12-5-8-16-9-11(12)10-3-6-15-7-4-10/h3-11H,1-2H3,(H,21,22);4-8,10H,1-3H3,(H,20,21);5-11H,1-4H3,(H,20,21);3-6,8,10-11H,7H2,1-2H3,(H,20,21);2*3-7,9H,1-2H3,(H,20,21);3-8H,1-2H3,(H,19,20)(H,21,22);3-9H,16H2,1-2H3,(H,18,19);3-9,17H,1-2H3,(H,18,19);3-9,19H,1-2H3,(H,17,18);4-8H,1-3H3,(H,18,19);3-9H,1-2H3,(H,17,18).

What are the key properties of 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?

2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid has a molecular weight of 3729.00 g/mol, XLogP of 43.15, 53 rotatable bonds, 16 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(4-aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-(3-chloro-4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyanomethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-hydroxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2-methoxypyrimidin-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-pyridin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-4-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid is sourced from PubChem (CID 158006916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).