6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine

C118H132Br4Cl5F15N16O12S3 — CID 167699740

About 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine

6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine (PubChem CID 167699740) has the molecular formula C118H132Br4Cl5F15N16O12S3 and a molecular weight of 2844.51 g/mol. Its IUPAC name is 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine
• PubChem CID: 167699740
• Molecular Formula: C118H132Br4Cl5F15N16O12S3
• Molecular Weight: 2844.51 g/mol
• Exact Mass: 2836.43
• IUPAC Name: 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine
• SMILES: C.C.C.CC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.COC(=O)C1(Cc2nc(Br)ccc2F)CCN(Cc2cccc(Cl)c2F)C(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2cccc(Cl)c2F)C(C)C1.COC(=O)C1CCN(Cc2cccc(Cl)c2F)C(C(F)(F)F)C1.COC(=O)C1CCNC(C)C1.COC(=O)c1ccnc(C(F)(F)F)c1.Fc1c(Cl)cccc1CBr.Fc1ccc(Br)nc1CBr.Nc1nccs1
• InChI: InChI=1S/C24H25ClF2N4O2S.C23H23ClF2N4O2S.C21H22BrClF2N2O2.C15H16ClF4NO2.C8H6F3NO2.C8H15NO2.C7H5BrClF.C6H4Br2FN.C3H4N2S.3CH4/c1-15-12-24(22(32)33-2,8-10-31(15)14-16-4-3-5-17(25)21(16)27)13-19-18(26)6-7-20(29-19)30-23-28-9-11-34-23;1-14-11-23(21(31)32,7-9-30(14)13-15-3-2-4-16(24)20(15)26)12-18-17(25)5-6-19(28-18)29-22-27-8-10-33-22;1-13-10-21(20(28)29-2,11-17-16(24)6-7-18(22)26-17)8-9-27(13)12-14-4-3-5-15(23)19(14)25;1-23-14(22)9-5-6-21(12(7-9)15(18,19)20)8-10-3-2-4-11(16)13(10)17;1-14-7(13)5-2-3-12-6(4-5)8(9,10)11;1-6-5-7(3-4-9-6)8(10)11-2;8-4-5-2-1-3-6(9)7(5)10;7-3-5-4(9)1-2-6(8)10-5;4-3-5-1-2-6-3;;;/h3-7,9,11,15H,8,10,12-14H2,1-2H3,(H,28,29,30);2-6,8,10,14H,7,9,11-13H2,1H3,(H,31,32)(H,27,28,29);3-7,13H,8-12H2,1-2H3;2-4,9,12H,5-8H2,1H3;2-4H,1H3;6-7,9H,3-5H2,1-2H3;1-3H,4H2;1-2H,3H2;1-2H,(H2,4,5);3*1H4
• InChIKey: YESUIHAAKRXGIG-UHFFFAOYSA-N
• XLogP: 31.39
• TPSA: 346.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2844.51
LogP ≤ 5	31.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine?

The IUPAC name of 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine (CID 167699740) is 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine.

What is the SMILES notation for 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine?

The canonical SMILES for 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine is C.C.C.CC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.COC(=O)C1(Cc2nc(Br)ccc2F)CCN(Cc2cccc(Cl)c2F)C(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2cccc(Cl)c2F)C(C)C1.COC(=O)C1CCN(Cc2cccc(Cl)c2F)C(C(F)(F)F)C1.COC(=O)C1CCNC(C)C1.COC(=O)c1ccnc(C(F)(F)F)c1.Fc1c(Cl)cccc1CBr.Fc1ccc(Br)nc1CBr.Nc1nccs1.

What is the InChIKey of 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine?

The InChIKey is YESUIHAAKRXGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N4O2S.C23H23ClF2N4O2S.C21H22BrClF2N2O2.C15H16ClF4NO2.C8H6F3NO2.C8H15NO2.C7H5BrClF.C6H4Br2FN.C3H4N2S.3CH4/c1-15-12-24(22(32)33-2,8-10-31(15)14-16-4-3-5-17(25)21(16)27)13-19-18(26)6-7-20(29-19)30-23-28-9-11-34-23;1-14-11-23(21(31)32,7-9-30(14)13-15-3-2-4-16(24)20(15)26)12-18-17(25)5-6-19(28-18)29-22-27-8-10-33-22;1-13-10-21(20(28)29-2,11-17-16(24)6-7-18(22)26-17)8-9-27(13)12-14-4-3-5-15(23)19(14)25;1-23-14(22)9-5-6-21(12(7-9)15(18,19)20)8-10-3-2-4-11(16)13(10)17;1-14-7(13)5-2-3-12-6(4-5)8(9,10)11;1-6-5-7(3-4-9-6)8(10)11-2;8-4-5-2-1-3-6(9)7(5)10;7-3-5-4(9)1-2-6(8)10-5;4-3-5-1-2-6-3;;;/h3-7,9,11,15H,8,10,12-14H2,1-2H3,(H,28,29,30);2-6,8,10,14H,7,9,11-13H2,1H3,(H,31,32)(H,27,28,29);3-7,13H,8-12H2,1-2H3;2-4,9,12H,5-8H2,1H3;2-4H,1H3;6-7,9H,3-5H2,1-2H3;1-3H,4H2;1-2H,3H2;1-2H,(H2,4,5);3*1H4.

What are the key properties of 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine?

6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine has a molecular weight of 2844.51 g/mol, XLogP of 31.39, 26 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-3-chloro-2-fluorobenzene;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methane;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-(trifluoromethyl)piperidine-4-carboxylate;methyl 2-methylpiperidine-4-carboxylate;methyl 2-(trifluoromethyl)pyridine-4-carboxylate;1,3-thiazol-2-amine is sourced from PubChem (CID 167699740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).