2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid

C190H184BrClF3N17O34S14 — CID 159491477

About 2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid

2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid (PubChem CID 159491477) has the molecular formula C190H184BrClF3N17O34S14 and a molecular weight of 3870.94 g/mol. Its IUPAC name is 2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid.

Molecular Properties

• Compound Name: 2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
• PubChem CID: 159491477
• Molecular Formula: C190H184BrClF3N17O34S14
• Molecular Weight: 3870.94 g/mol
• Exact Mass: 3865.81
• IUPAC Name: 2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
• SMILES: CC(C)(Sc1ccncc1-c1ccc(Br)cc1)C(=O)O.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)c(F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C(=O)O)cc1F)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C(N)=O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(CO)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(C)(=O)=O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S)cc1)C(=O)O.COc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.Cc1cc(C(N)=O)ccc1-c1cnccc1SC(C)(C)C(=O)O.Cc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cn1
• InChI: InChI=1S/C17H18N2O3S.C16H13ClN2O2S.C16H13FN2O2S.2C16H14FNO4S.C16H16N2O3S.C16H17NO4S2.2C16H17NO3S.C15H14BrNO2S.C15H16N2O2S.C15H15NO2S2/c1-10-8-11(15(18)20)4-5-12(10)13-9-19-7-6-14(13)23-17(2,3)16(21)22;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;1-16(2,15(21)22)23-13-5-6-18-8-11(13)9-3-4-10(14(19)20)12(17)7-9;1-16(2,15(20)21)22-13-7-8-18-9-12(13)10-3-5-11(6-4-10)14(17)19;1-16(2,15(18)19)22-14-8-9-17-10-13(14)11-4-6-12(7-5-11)23(3,20)21;1-16(2,15(18)19)21-14-8-9-17-10-13(14)11-4-6-12(20-3)7-5-11;1-16(2,15(19)20)21-14-7-8-17-9-13(14)12-5-3-11(10-18)4-6-12;1-15(2,14(18)19)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-10-4-5-11(8-17-10)12-9-16-7-6-13(12)20-15(2,3)14(18)19;1-15(2,14(17)18)20-13-7-8-16-9-12(13)10-3-5-11(19)6-4-10/h4-9H,1-3H3,(H2,18,20)(H,21,22);2*3-7,9H,1-2H3,(H,20,21);2*3-8H,1-2H3,(H,19,20)(H,21,22);3-9H,1-2H3,(H2,17,19)(H,20,21);4-10H,1-3H3,(H,18,19);4-10H,1-3H3,(H,18,19);3-9,18H,10H2,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19);4-9H,1-3H3,(H,18,19);3-9,19H,1-2H3,(H,17,18)
• InChIKey: LYFZWHAHFRFFMX-UHFFFAOYSA-N
• XLogP: 42.82
• TPSA: 887.13 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 48
• Rotatable Bonds: 55
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3870.94
LogP ≤ 5	42.82
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?

The IUPAC name of 2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid (CID 159491477) is 2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-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-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?

The canonical SMILES for 2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid is CC(C)(Sc1ccncc1-c1ccc(Br)cc1)C(=O)O.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)c(F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C(=O)O)cc1F)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C(N)=O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(CO)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(C)(=O)=O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S)cc1)C(=O)O.COc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.Cc1cc(C(N)=O)ccc1-c1cnccc1SC(C)(C)C(=O)O.Cc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cn1.

What is the InChIKey of 2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?

The InChIKey is LYFZWHAHFRFFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S.C16H13ClN2O2S.C16H13FN2O2S.2C16H14FNO4S.C16H16N2O3S.C16H17NO4S2.2C16H17NO3S.C15H14BrNO2S.C15H16N2O2S.C15H15NO2S2/c1-10-8-11(15(18)20)4-5-12(10)13-9-19-7-6-14(13)23-17(2,3)16(21)22;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;1-16(2,15(21)22)23-13-5-6-18-8-11(13)9-3-4-10(14(19)20)12(17)7-9;1-16(2,15(20)21)22-13-7-8-18-9-12(13)10-3-5-11(6-4-10)14(17)19;1-16(2,15(18)19)22-14-8-9-17-10-13(14)11-4-6-12(7-5-11)23(3,20)21;1-16(2,15(18)19)21-14-8-9-17-10-13(14)11-4-6-12(20-3)7-5-11;1-16(2,15(19)20)21-14-7-8-17-9-13(14)12-5-3-11(10-18)4-6-12;1-15(2,14(18)19)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-10-4-5-11(8-17-10)12-9-16-7-6-13(12)20-15(2,3)14(18)19;1-15(2,14(17)18)20-13-7-8-16-9-12(13)10-3-5-11(19)6-4-10/h4-9H,1-3H3,(H2,18,20)(H,21,22);2*3-7,9H,1-2H3,(H,20,21);2*3-8H,1-2H3,(H,19,20)(H,21,22);3-9H,1-2H3,(H2,17,19)(H,20,21);4-10H,1-3H3,(H,18,19);4-10H,1-3H3,(H,18,19);3-9,18H,10H2,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19);4-9H,1-3H3,(H,18,19);3-9,19H,1-2H3,(H,17,18).

What are the key properties of 2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?

2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid has a molecular weight of 3870.94 g/mol, XLogP of 42.82, 55 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(4-bromophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-2-fluorobenzoic 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-(hydroxymethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(6-methyl-3-pyridinyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfonylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid is sourced from PubChem (CID 159491477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).