3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate

C83H93BBrCl9F12N14O12S — CID 160900499

About 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate

3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate (PubChem CID 160900499) has the molecular formula C83H93BBrCl9F12N14O12S and a molecular weight of 2148.58 g/mol. Its IUPAC name is 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate.

Molecular Properties

• Compound Name: 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate
• PubChem CID: 160900499
• Molecular Formula: C83H93BBrCl9F12N14O12S
• Molecular Weight: 2148.58 g/mol
• Exact Mass: 2142.31
• IUPAC Name: 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(B4OC(C)(C)C(C)(C)O4)c(Cl)cc23)CC1.CC(C)(C)OC(N)=O.COC(=O)C(F)(F)S(=O)(=O)F.Cc1ccc(CC(F)(F)F)c(Cl)n1.Cc1ccc(Cl)nc1Cl.Cc1nc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)ccc1CC(F)(F)F.Clc1ccc(CBr)c(Cl)n1.FC(F)(F)Cc1ccc(Cl)nc1Cl
• InChI: InChI=1S/C25H27ClF3N5O2.C23H32BClN4O4.C8H7ClF3N.C7H4Cl2F3N.C6H4BrCl2N.C6H5Cl2N.C5H11NO2.C3H3F3O4S/c1-15-16(13-25(27,28)29)5-6-20(32-15)17-12-21-18(11-19(17)26)22(31-14-30-21)33-7-9-34(10-8-33)23(35)36-24(2,3)4;1-21(2,3)31-20(30)29-10-8-28(9-11-29)19-15-12-17(25)16(13-18(15)26-14-27-19)24-32-22(4,5)23(6,7)33-24;1-5-2-3-6(7(9)13-5)4-8(10,11)12;8-5-2-1-4(6(9)13-5)3-7(10,11)12;7-3-4-1-2-5(8)10-6(4)9;1-4-2-3-5(7)9-6(4)8;1-5(2,3)8-4(6)7;1-10-2(7)3(4,5)11(6,8)9/h5-6,11-12,14H,7-10,13H2,1-4H3;12-14H,8-11H2,1-7H3;2-3H,4H2,1H3;1-2H,3H2;1-2H,3H2;2-3H,1H3;1-3H3,(H2,6,7);1H3
• InChIKey: SPKYRKUUESNDQM-UHFFFAOYSA-N
• XLogP: 23.01
• TPSA: 312.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2148.58
LogP ≤ 5	23.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate?

The IUPAC name of 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate (CID 160900499) is 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate.

What is the SMILES notation for 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate?

The canonical SMILES for 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate is CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(B4OC(C)(C)C(C)(C)O4)c(Cl)cc23)CC1.CC(C)(C)OC(N)=O.COC(=O)C(F)(F)S(=O)(=O)F.Cc1ccc(CC(F)(F)F)c(Cl)n1.Cc1ccc(Cl)nc1Cl.Cc1nc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)ccc1CC(F)(F)F.Clc1ccc(CBr)c(Cl)n1.FC(F)(F)Cc1ccc(Cl)nc1Cl.

What is the InChIKey of 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate?

The InChIKey is SPKYRKUUESNDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF3N5O2.C23H32BClN4O4.C8H7ClF3N.C7H4Cl2F3N.C6H4BrCl2N.C6H5Cl2N.C5H11NO2.C3H3F3O4S/c1-15-16(13-25(27,28)29)5-6-20(32-15)17-12-21-18(11-19(17)26)22(31-14-30-21)33-7-9-34(10-8-33)23(35)36-24(2,3)4;1-21(2,3)31-20(30)29-10-8-28(9-11-29)19-15-12-17(25)16(13-18(15)26-14-27-19)24-32-22(4,5)23(6,7)33-24;1-5-2-3-6(7(9)13-5)4-8(10,11)12;8-5-2-1-4(6(9)13-5)3-7(10,11)12;7-3-4-1-2-5(8)10-6(4)9;1-4-2-3-5(7)9-6(4)8;1-5(2,3)8-4(6)7;1-10-2(7)3(4,5)11(6,8)9/h5-6,11-12,14H,7-10,13H2,1-4H3;12-14H,8-11H2,1-7H3;2-3H,4H2,1H3;1-2H,3H2;1-2H,3H2;2-3H,1H3;1-3H3,(H2,6,7);1H3.

What are the key properties of 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate?

3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate has a molecular weight of 2148.58 g/mol, XLogP of 23.01, 10 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(bromomethyl)-2,6-dichloropyridine;tert-butyl carbamate;tert-butyl 4-[6-chloro-7-[6-methyl-5-(2,2,2-trifluoroethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]piperazine-1-carboxylate;2-chloro-6-methyl-3-(2,2,2-trifluoroethyl)pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-3-(2,2,2-trifluoroethyl)pyridine;methyl 2,2-difluoro-2-fluorosulfonylacetate is sourced from PubChem (CID 160900499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).