(2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane

C107H111BCl15F4N21O15S2 — CID 158251400

About (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane

(2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane (PubChem CID 158251400) has the molecular formula C107H111BCl15F4N21O15S2 and a molecular weight of 2613.93 g/mol. Its IUPAC name is (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane.

Molecular Properties

• Compound Name: (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane
• PubChem CID: 158251400
• Molecular Formula: C107H111BCl15F4N21O15S2
• Molecular Weight: 2613.93 g/mol
• Exact Mass: 2605.34
• IUPAC Name: (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane
• SMILES: CC(C)(C)OC(=O)Cc1cnc(Cl)cc1Cl.CN(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CN(C)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnccc1N.COC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1N(C)C.C[C@H](O)CN.C[C@H](O)CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1N(C)C.Nc1cnc(Cl)cc1Cl.O=C(O)c1cnc(Cl)cc1Cl.OB(O)c1cc(Cl)ccc1F.S.S
• InChI: InChI=1S/C22H23ClFN5O2.C20H18ClFN4O2.C13H11Cl2FN2.C11H13Cl2NO2.C7H8Cl2N2.C7H5Cl2NO2.C7H8N2O2.C6H5BClFO2.C6H3Cl2NO2.C5H4Cl2N2.C3H9NO.2H2S/c1-13(30)10-27-22(31)16-11-25-7-6-18(16)28-20-9-19(26-12-21(20)29(2)3)15-8-14(23)4-5-17(15)24;1-26(2)19-11-24-17(13-8-12(21)4-5-15(13)22)9-18(19)25-16-6-7-23-10-14(16)20(27)28-3;1-18(2)13-7-17-12(6-10(13)15)9-5-8(14)3-4-11(9)16;1-11(2,3)16-10(15)4-7-6-14-9(13)5-8(7)12;1-11(2)6-4-10-7(9)3-5(6)8;1-12-7(11)4-3-10-6(9)2-5(4)8;1-11-7(10)5-4-9-3-2-6(5)8;8-4-1-2-6(9)5(3-4)7(10)11;7-4-1-5(8)9-2-3(4)6(10)11;6-3-1-5(7)9-2-4(3)8;1-3(5)2-4;;/h4-9,11-13,30H,10H2,1-3H3,(H,27,31)(H,25,26,28);4-11H,1-3H3,(H,23,24,25);3-7H,1-2H3;5-6H,4H2,1-3H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3,(H2,8,9);1-3,10-11H;1-2H,(H,10,11);1-2H,8H2;3,5H,2,4H2,1H3;2*1H2/t13-;;;;;;;;;;3-;;/m0.........0../s1
• InChIKey: GGTIQKBBVGGYRX-DIEWIYLRSA-N
• XLogP: 24.77
• TPSA: 509.39 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2613.93
LogP ≤ 5	24.77
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane?

The IUPAC name of (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane (CID 158251400) is (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane.

What is the SMILES notation for (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane?

The canonical SMILES for (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane is CC(C)(C)OC(=O)Cc1cnc(Cl)cc1Cl.CN(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CN(C)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnccc1N.COC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1N(C)C.C[C@H](O)CN.C[C@H](O)CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1N(C)C.Nc1cnc(Cl)cc1Cl.O=C(O)c1cnc(Cl)cc1Cl.OB(O)c1cc(Cl)ccc1F.S.S.

What is the InChIKey of (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane?

The InChIKey is GGTIQKBBVGGYRX-DIEWIYLRSA-N. The full InChI is InChI=1S/C22H23ClFN5O2.C20H18ClFN4O2.C13H11Cl2FN2.C11H13Cl2NO2.C7H8Cl2N2.C7H5Cl2NO2.C7H8N2O2.C6H5BClFO2.C6H3Cl2NO2.C5H4Cl2N2.C3H9NO.2H2S/c1-13(30)10-27-22(31)16-11-25-7-6-18(16)28-20-9-19(26-12-21(20)29(2)3)15-8-14(23)4-5-17(15)24;1-26(2)19-11-24-17(13-8-12(21)4-5-15(13)22)9-18(19)25-16-6-7-23-10-14(16)20(27)28-3;1-18(2)13-7-17-12(6-10(13)15)9-5-8(14)3-4-11(9)16;1-11(2,3)16-10(15)4-7-6-14-9(13)5-8(7)12;1-11(2)6-4-10-7(9)3-5(6)8;1-12-7(11)4-3-10-6(9)2-5(4)8;1-11-7(10)5-4-9-3-2-6(5)8;8-4-1-2-6(9)5(3-4)7(10)11;7-4-1-5(8)9-2-3(4)6(10)11;6-3-1-5(7)9-2-4(3)8;1-3(5)2-4;;/h4-9,11-13,30H,10H2,1-3H3,(H,27,31)(H,25,26,28);4-11H,1-3H3,(H,23,24,25);3-7H,1-2H3;5-6H,4H2,1-3H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3,(H2,8,9);1-3,10-11H;1-2H,(H,10,11);1-2H,8H2;3,5H,2,4H2,1H3;2*1H2/t13-;;;;;;;;;;3-;;/m0.........0../s1.

What are the key properties of (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane?

(2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane has a molecular weight of 2613.93 g/mol, XLogP of 24.77, 22 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-aminopropan-2-ol;tert-butyl 2-(4,6-dichloro-3-pyridinyl)acetate;4-chloro-6-(5-chloro-2-fluorophenyl)-N,N-dimethylpyridin-3-amine;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4,6-dichloro-N,N-dimethylpyridin-3-amine;4,6-dichloropyridin-3-amine;4,6-dichloropyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane is sourced from PubChem (CID 158251400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).