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

C28H22BBrCl2F10N6O2 — CID 159932663

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

5-bromo-3-chloro-2-(difluoromethyl)pyridine;5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)pyrimidine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 159932663) has the molecular formula C28H22BBrCl2F10N6O2 and a molecular weight of 826.13 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(difluoromethyl)pyridine;5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)pyrimidine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

• Compound Name: 5-bromo-3-chloro-2-(difluoromethyl)pyridine;5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)pyrimidine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine
• PubChem CID: 159932663
• Molecular Formula: C28H22BBrCl2F10N6O2
• Molecular Weight: 826.13 g/mol
• Exact Mass: 824.03
• IUPAC Name: 5-bromo-3-chloro-2-(difluoromethyl)pyridine;5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)pyrimidine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine
• SMILES: CC1(C)OB(c2cnc(C(F)(F)F)nc2)OC1(C)C.FC(F)c1ncc(-c2cnc(C(F)(F)F)nc2)cc1Cl.FC(F)c1ncc(Br)cc1Cl
• InChI: InChI=1S/C11H14BF3N2O2.C11H5ClF5N3.C6H3BrClF2N/c1-9(2)10(3,4)19-12(18-9)7-5-16-8(17-6-7)11(13,14)15;12-7-1-5(2-18-8(7)9(13)14)6-3-19-10(20-4-6)11(15,16)17;7-3-1-4(8)5(6(9)10)11-2-3/h5-6H,1-4H3;1-4,9H;1-2,6H
• InChIKey: NZVNZYUJHPHTTC-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.13
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(difluoromethyl)pyridine;5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)pyrimidine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine?

The IUPAC name of 5-bromo-3-chloro-2-(difluoromethyl)pyridine;5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)pyrimidine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine (CID 159932663) is 5-bromo-3-chloro-2-(difluoromethyl)pyridine;5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)pyrimidine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine.

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

The canonical SMILES for 5-bromo-3-chloro-2-(difluoromethyl)pyridine;5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)pyrimidine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine is CC1(C)OB(c2cnc(C(F)(F)F)nc2)OC1(C)C.FC(F)c1ncc(-c2cnc(C(F)(F)F)nc2)cc1Cl.FC(F)c1ncc(Br)cc1Cl.

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

The InChIKey is NZVNZYUJHPHTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BF3N2O2.C11H5ClF5N3.C6H3BrClF2N/c1-9(2)10(3,4)19-12(18-9)7-5-16-8(17-6-7)11(13,14)15;12-7-1-5(2-18-8(7)9(13)14)6-3-19-10(20-4-6)11(15,16)17;7-3-1-4(8)5(6(9)10)11-2-3/h5-6H,1-4H3;1-4,9H;1-2,6H.

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

5-bromo-3-chloro-2-(difluoromethyl)pyridine;5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)pyrimidine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 826.13 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-chloro-2-(difluoromethyl)pyridine;5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)pyrimidine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159932663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).