2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole

C55H54B2Br2F10N10O5 — CID 160615644

IUPAC2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCC(C)(c1cccc(-c2cc(C(F)(F)F)[nH]n2)n1)c1cccc(-c2ccc(F)nc2F)n1.CC(C)(c1cccc(Br)n1)c1cccc(Br)n1.CC1(C)OB(c2cc(C(F)(F)F)nn2C2CCCCO2)OC1(C)C.OB(O)c1ccc(F)nc1F
InChIInChI=1S/C22H16F5N5.C15H22BF3N2O3.C13H12Br2N2.C5H4BF2NO2/c1-21(2,16-7-3-5-13(28-16)12-9-10-19(23)30-20(12)24)17-8-4-6-14(29-17)15-11-18(32-31-15)22(25,26)27;1-13(2)14(3,4)24-16(23-13)11-9-10(15(17,18)19)20-21(11)12-7-5-6-8-22-12;1-13(2,9-5-3-7-11(14)16-9)10-6-4-8-12(15)17-10;7-4-2-1-3(6(10)11)5(8)9-4/h3-11H,1-2H3,(H,31,32);9,12H,5-8H2,1-4H3;3-8H,1-2H3;1-2,10-11H
InChIKeyRGAZGNAAIUQKTJ-UHFFFAOYSA-N
MW1306.51 g/mol
LogP11.82
Rot. Bonds9

About 2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole

2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 160615644) has the molecular formula C55H54B2Br2F10N10O5 and a molecular weight of 1306.51 g/mol. Its IUPAC name is 2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID160615644
Molecular FormulaC55H54B2Br2F10N10O5
Molecular Weight1306.51 g/mol
Exact Mass1304.27
IUPAC Name2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCC(C)(c1cccc(-c2cc(C(F)(F)F)[nH]n2)n1)c1cccc(-c2ccc(F)nc2F)n1.CC(C)(c1cccc(Br)n1)c1cccc(Br)n1.CC1(C)OB(c2cc(C(F)(F)F)nn2C2CCCCO2)OC1(C)C.OB(O)c1ccc(F)nc1F
InChIInChI=1S/C22H16F5N5.C15H22BF3N2O3.C13H12Br2N2.C5H4BF2NO2/c1-21(2,16-7-3-5-13(28-16)12-9-10-19(23)30-20(12)24)17-8-4-6-14(29-17)15-11-18(32-31-15)22(25,26)27;1-13(2)14(3,4)24-16(23-13)11-9-10(15(17,18)19)20-21(11)12-7-5-6-8-22-12;1-13(2,9-5-3-7-11(14)16-9)10-6-4-8-12(15)17-10;7-4-2-1-3(6(10)11)5(8)9-4/h3-11H,1-2H3,(H,31,32);9,12H,5-8H2,1-4H3;3-8H,1-2H3;1-2,10-11H
InChIKeyRGAZGNAAIUQKTJ-UHFFFAOYSA-N
XLogP11.82
TPSA191.99 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001306.51
LogP ≤ 511.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole with MolForge

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Related Compounds

2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride
CID 158180218

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole (CID 160615644) is 2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole is CC(C)(c1cccc(-c2cc(C(F)(F)F)[nH]n2)n1)c1cccc(-c2ccc(F)nc2F)n1.CC(C)(c1cccc(Br)n1)c1cccc(Br)n1.CC1(C)OB(c2cc(C(F)(F)F)nn2C2CCCCO2)OC1(C)C.OB(O)c1ccc(F)nc1F.
What is the InChIKey of 2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is RGAZGNAAIUQKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5N5.C15H22BF3N2O3.C13H12Br2N2.C5H4BF2NO2/c1-21(2,16-7-3-5-13(28-16)12-9-10-19(23)30-20(12)24)17-8-4-6-14(29-17)15-11-18(32-31-15)22(25,26)27;1-13(2)14(3,4)24-16(23-13)11-9-10(15(17,18)19)20-21(11)12-7-5-6-8-22-12;1-13(2,9-5-3-7-11(14)16-9)10-6-4-8-12(15)17-10;7-4-2-1-3(6(10)11)5(8)9-4/h3-11H,1-2H3,(H,31,32);9,12H,5-8H2,1-4H3;3-8H,1-2H3;1-2,10-11H.
What are the key properties of 2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole?
2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 1306.51 g/mol, XLogP of 11.82, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(6-bromo-2-pyridinyl)propan-2-yl]pyridine;(2,6-difluoro-3-pyridinyl)boronic acid;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 160615644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).