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

C74H77BrF15N15O9S3 — CID 158630461

About 4-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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 158630461) has the molecular formula C74H77BrF15N15O9S3 and a molecular weight of 1781.60 g/mol. Its IUPAC name is 4-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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: 158630461
• Molecular Formula: C74H77BrF15N15O9S3
• Molecular Weight: 1781.60 g/mol
• Exact Mass: 1779.41
• IUPAC Name: 4-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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(OCC(F)(F)F)c1F.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2ccnc(OCC(F)(F)F)c2F)C(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCNC(C)C1.Fc1c(CBr)ccnc1OCC(F)(F)F
• InChI: InChI=1S/C25H26F5N5O3S.C24H24F5N5O3S.C17H21FN4O2S.C8H6BrF4NO/c1-15-11-24(22(36)37-2,12-18-17(26)3-4-19(33-18)34-23-32-8-10-39-23)6-9-35(15)13-16-5-7-31-21(20(16)27)38-14-25(28,29)30;1-14-10-23(21(35)36,11-17-16(25)2-3-18(32-17)33-22-31-7-9-38-22)5-8-34(14)12-15-4-6-30-20(19(15)26)37-13-24(27,28)29;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;9-3-5-1-2-14-7(6(5)10)15-4-8(11,12)13/h3-5,7-8,10,15H,6,9,11-14H2,1-2H3,(H,32,33,34);2-4,6-7,9,14H,5,8,10-13H2,1H3,(H,35,36)(H,31,32,33);3-4,7-8,11,19H,5-6,9-10H2,1-2H3,(H,20,21,22);1-2H,3-4H2
• InChIKey: HZCYTRBADUEWQH-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 288.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.60
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate (CID 158630461) is 4-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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(OCC(F)(F)F)c1F.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2ccnc(OCC(F)(F)F)c2F)C(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCNC(C)C1.Fc1c(CBr)ccnc1OCC(F)(F)F.

What is the InChIKey of 4-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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 HZCYTRBADUEWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F5N5O3S.C24H24F5N5O3S.C17H21FN4O2S.C8H6BrF4NO/c1-15-11-24(22(36)37-2,12-18-17(26)3-4-19(33-18)34-23-32-8-10-39-23)6-9-35(15)13-16-5-7-31-21(20(16)27)38-14-25(28,29)30;1-14-10-23(21(35)36,11-17-16(25)2-3-18(32-17)33-22-31-7-9-38-22)5-8-34(14)12-15-4-6-30-20(19(15)26)37-13-24(27,28)29;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;9-3-5-1-2-14-7(6(5)10)15-4-8(11,12)13/h3-5,7-8,10,15H,6,9,11-14H2,1-2H3,(H,32,33,34);2-4,6-7,9,14H,5,8,10-13H2,1H3,(H,35,36)(H,31,32,33);3-4,7-8,11,19H,5-6,9-10H2,1-2H3,(H,20,21,22);1-2H,3-4H2.

What are the key properties of 4-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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 1781.60 g/mol, XLogP of 16.43, 26 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-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 158630461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).