4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate

C68H71BrCl3F6N15O6S3 — CID 160595426

About 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate

4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate (PubChem CID 160595426) has the molecular formula C68H71BrCl3F6N15O6S3 and a molecular weight of 1590.87 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate.

Molecular Properties

• Compound Name: 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
• PubChem CID: 160595426
• Molecular Formula: C68H71BrCl3F6N15O6S3
• Molecular Weight: 1590.87 g/mol
• Exact Mass: 1587.30
• IUPAC Name: 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
• SMILES: CC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1ccnc(Cl)c1F.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2ccnc(Cl)c2F)C(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCNC(C)C1.Fc1c(CBr)ccnc1Cl
• InChI: InChI=1S/C23H24ClF2N5O2S.C22H22ClF2N5O2S.C17H21FN4O2S.C6H4BrClFN/c1-14-11-23(21(32)33-2,6-9-31(14)13-15-5-7-27-20(24)19(15)26)12-17-16(25)3-4-18(29-17)30-22-28-8-10-34-22;1-13-10-22(20(31)32,5-8-30(13)12-14-4-6-26-19(23)18(14)25)11-16-15(24)2-3-17(28-16)29-21-27-7-9-33-21;1-11-9-17(5-6-19-11,15(23)24-2)10-13-12(18)3-4-14(21-13)22-16-20-7-8-25-16;7-3-4-1-2-10-6(8)5(4)9/h3-5,7-8,10,14H,6,9,11-13H2,1-2H3,(H,28,29,30);2-4,6-7,9,13H,5,8,10-12H2,1H3,(H,31,32)(H,27,28,29);3-4,7-8,11,19H,5-6,9-10H2,1-2H3,(H,20,21,22);1-2H,3H2
• InChIKey: RDOKNVDXIQKWPI-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 260.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1590.87
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

The IUPAC name of 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate (CID 160595426) is 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate.

What is the SMILES notation for 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

The canonical SMILES for 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate is CC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1ccnc(Cl)c1F.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2ccnc(Cl)c2F)C(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCNC(C)C1.Fc1c(CBr)ccnc1Cl.

What is the InChIKey of 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

The InChIKey is RDOKNVDXIQKWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N5O2S.C22H22ClF2N5O2S.C17H21FN4O2S.C6H4BrClFN/c1-14-11-23(21(32)33-2,6-9-31(14)13-15-5-7-27-20(24)19(15)26)12-17-16(25)3-4-18(29-17)30-22-28-8-10-34-22;1-13-10-22(20(31)32,5-8-30(13)12-14-4-6-26-19(23)18(14)25)11-16-15(24)2-3-17(28-16)29-21-27-7-9-33-21;1-11-9-17(5-6-19-11,15(23)24-2)10-13-12(18)3-4-14(21-13)22-16-20-7-8-25-16;7-3-4-1-2-10-6(8)5(4)9/h3-5,7-8,10,14H,6,9,11-13H2,1-2H3,(H,28,29,30);2-4,6-7,9,13H,5,8,10-12H2,1H3,(H,31,32)(H,27,28,29);3-4,7-8,11,19H,5-6,9-10H2,1-2H3,(H,20,21,22);1-2H,3H2.

What are the key properties of 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate has a molecular weight of 1590.87 g/mol, XLogP of 15.56, 20 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(bromomethyl)-2-chloro-3-fluoropyridine;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 160595426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).