2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

C51H39BBrCl3F6N14O2 — CID 158030714

About 2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 158030714) has the molecular formula C51H39BBrCl3F6N14O2 and a molecular weight of 1191.03 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
• PubChem CID: 158030714
• Molecular Formula: C51H39BBrCl3F6N14O2
• Molecular Weight: 1191.03 g/mol
• Exact Mass: 1188.16
• IUPAC Name: 2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
• SMILES: CC1(C)OB(c2cccnc2Cl)OC1(C)C.Clc1ccn2nccc2n1.Clc1ncccc1-c1ccn2nccc2n1.FC(F)(F)c1cccc(-c2ncccc2-c2ccn3nccc3n2)n1.FC(F)(F)c1cccc(Br)n1
• InChI: InChI=1S/C17H10F3N5.C11H15BClNO2.C11H7ClN4.C6H3BrF3N.C6H4ClN3/c18-17(19,20)14-5-1-4-13(23-14)16-11(3-2-8-21-16)12-7-10-25-15(24-12)6-9-22-25;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;12-11-8(2-1-5-13-11)9-4-7-16-10(15-9)3-6-14-16;7-5-3-1-2-4(11-5)6(8,9)10;7-5-2-4-10-6(9-5)1-3-8-10/h1-10H;5-7H,1-4H3;1-7H;1-3H;1-4H
• InChIKey: FHDNGCKKSQOWMT-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 173.48 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1191.03
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 158030714) is 2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is CC1(C)OB(c2cccnc2Cl)OC1(C)C.Clc1ccn2nccc2n1.Clc1ncccc1-c1ccn2nccc2n1.FC(F)(F)c1cccc(-c2ncccc2-c2ccn3nccc3n2)n1.FC(F)(F)c1cccc(Br)n1.

What is the InChIKey of 2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?

The InChIKey is FHDNGCKKSQOWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5.C11H15BClNO2.C11H7ClN4.C6H3BrF3N.C6H4ClN3/c18-17(19,20)14-5-1-4-13(23-14)16-11(3-2-8-21-16)12-7-10-25-15(24-12)6-9-22-25;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;12-11-8(2-1-5-13-11)9-4-7-16-10(15-9)3-6-14-16;7-5-3-1-2-4(11-5)6(8,9)10;7-5-2-4-10-6(9-5)1-3-8-10/h1-10H;5-7H,1-4H3;1-7H;1-3H;1-4H.

What are the key properties of 2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?

2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 1191.03 g/mol, XLogP of 12.60, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 158030714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).