[2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine

C83H72B3Cl2F17N16O10S2 — CID 165102989

About [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine

[2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine (PubChem CID 165102989) has the molecular formula C83H72B3Cl2F17N16O10S2 and a molecular weight of 1944.03 g/mol. Its IUPAC name is [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine.

Molecular Properties

• Compound Name: [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine
• PubChem CID: 165102989
• Molecular Formula: C83H72B3Cl2F17N16O10S2
• Molecular Weight: 1944.03 g/mol
• Exact Mass: 1942.44
• IUPAC Name: [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine
• SMILES: CC1(C)OB(c2ccccc2B2OC(C)(C)C(C)(C)O2)OC1(C)C.FC(F)(F)c1ncccn1.Nc1ccc(C(F)(F)F)c(-c2ccccc2-c2ncccn2)n1.Nc1ccc(C(F)(F)F)c(-c2ccccc2B(O)O)n1.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1.O=S(=O)(Nc1ccc(C(F)(F)F)c(-c2ccccc2-c2ncccn2)n1)c1cccc(F)n1
• InChI: InChI=1S/C21H13F4N5O2S.C18H28B2O4.C16H11F3N4.C12H10BF3N2O2.C6H4ClF3N2.C5H3ClFNO2S.C5H3F3N2/c22-16-7-3-8-18(28-16)33(31,32)30-17-10-9-15(21(23,24)25)19(29-17)13-5-1-2-6-14(13)20-26-11-4-12-27-20;1-15(2)16(3,4)22-19(21-15)13-11-9-10-12-14(13)20-23-17(5,6)18(7,8)24-20;17-16(18,19)12-6-7-13(20)23-14(12)10-4-1-2-5-11(10)15-21-8-3-9-22-15;14-12(15,16)8-5-6-10(17)18-11(8)7-3-1-2-4-9(7)13(19)20;7-5-3(6(8,9)10)1-2-4(11)12-5;6-11(9,10)5-3-1-2-4(7)8-5;6-5(7,8)4-9-2-1-3-10-4/h1-12H,(H,29,30);9-12H,1-8H3;1-9H,(H2,20,23);1-6,19-20H,(H2,17,18);1-2H,(H2,11,12);1-3H;1-3H
• InChIKey: YQNSKXLCYGCKOB-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 390.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1944.03
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine?

The IUPAC name of [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine (CID 165102989) is [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine.

What is the SMILES notation for [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine?

The canonical SMILES for [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine is CC1(C)OB(c2ccccc2B2OC(C)(C)C(C)(C)O2)OC1(C)C.FC(F)(F)c1ncccn1.Nc1ccc(C(F)(F)F)c(-c2ccccc2-c2ncccn2)n1.Nc1ccc(C(F)(F)F)c(-c2ccccc2B(O)O)n1.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1.O=S(=O)(Nc1ccc(C(F)(F)F)c(-c2ccccc2-c2ncccn2)n1)c1cccc(F)n1.

What is the InChIKey of [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine?

The InChIKey is YQNSKXLCYGCKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N5O2S.C18H28B2O4.C16H11F3N4.C12H10BF3N2O2.C6H4ClF3N2.C5H3ClFNO2S.C5H3F3N2/c22-16-7-3-8-18(28-16)33(31,32)30-17-10-9-15(21(23,24)25)19(29-17)13-5-1-2-6-14(13)20-26-11-4-12-27-20;1-15(2)16(3,4)22-19(21-15)13-11-9-10-12-14(13)20-23-17(5,6)18(7,8)24-20;17-16(18,19)12-6-7-13(20)23-14(12)10-4-1-2-5-11(10)15-21-8-3-9-22-15;14-12(15,16)8-5-6-10(17)18-11(8)7-3-1-2-4-9(7)13(19)20;7-5-3(6(8,9)10)1-2-4(11)12-5;6-11(9,10)5-3-1-2-4(7)8-5;6-5(7,8)4-9-2-1-3-10-4/h1-12H,(H,29,30);9-12H,1-8H3;1-9H,(H2,20,23);1-6,19-20H,(H2,17,18);1-2H,(H2,11,12);1-3H;1-3H.

What are the key properties of [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine?

[2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine has a molecular weight of 1944.03 g/mol, XLogP of 16.66, 12 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 165102989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).