5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid

C50H31BBr3ClF14N12O6Se4 — CID 157263661

About 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid

5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid (PubChem CID 157263661) has the molecular formula C50H31BBr3ClF14N12O6Se4 and a molecular weight of 1763.66 g/mol. Its IUPAC name is 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid.

Molecular Properties

• Compound Name: 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
• PubChem CID: 157263661
• Molecular Formula: C50H31BBr3ClF14N12O6Se4
• Molecular Weight: 1763.66 g/mol
• Exact Mass: 1763.63
• IUPAC Name: 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
• SMILES: Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)[se]1.Cn1nc(C(F)(F)F)cc1B(O)O.Nc1ncc(Br)[se]1.O=C(Cl)c1c(F)cccc1F.O=C(Nc1ncc(Br)[se]1)c1c(F)cccc1F.O=C(Nc1ncc(Br)[se]1)c1c(F)cccc1F
• InChI: InChI=1S/C15H9F5N4OSe.2C10H5BrF2N2OSe.C7H3ClF2O.C5H6BF3N2O2.C3H3BrN2Se/c1-24-9(5-11(23-24)15(18,19)20)10-6-21-14(26-10)22-13(25)12-7(16)3-2-4-8(12)17;2*11-7-4-14-10(17-7)15-9(16)8-5(12)2-1-3-6(8)13;8-7(11)6-4(9)2-1-3-5(6)10;1-11-4(6(12)13)2-3(10-11)5(7,8)9;4-2-1-6-3(5)7-2/h2-6H,1H3,(H,21,22,25);2*1-4H,(H,14,15,16);1-3H;2,12-13H,1H3;1H,(H2,5,6)
• InChIKey: AXTDXTIMFIJBJR-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 258.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1763.66
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid?

The IUPAC name of 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid (CID 157263661) is 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid.

What is the SMILES notation for 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid?

The canonical SMILES for 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid is Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)[se]1.Cn1nc(C(F)(F)F)cc1B(O)O.Nc1ncc(Br)[se]1.O=C(Cl)c1c(F)cccc1F.O=C(Nc1ncc(Br)[se]1)c1c(F)cccc1F.O=C(Nc1ncc(Br)[se]1)c1c(F)cccc1F.

What is the InChIKey of 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid?

The InChIKey is AXTDXTIMFIJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N4OSe.2C10H5BrF2N2OSe.C7H3ClF2O.C5H6BF3N2O2.C3H3BrN2Se/c1-24-9(5-11(23-24)15(18,19)20)10-6-21-14(26-10)22-13(25)12-7(16)3-2-4-8(12)17;2*11-7-4-14-10(17-7)15-9(16)8-5(12)2-1-3-6(8)13;8-7(11)6-4(9)2-1-3-5(6)10;1-11-4(6(12)13)2-3(10-11)5(7,8)9;4-2-1-6-3(5)7-2/h2-6H,1H3,(H,21,22,25);2*1-4H,(H,14,15,16);1-3H;2,12-13H,1H3;1H,(H2,5,6).

What are the key properties of 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid?

5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid has a molecular weight of 1763.66 g/mol, XLogP of 9.90, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid is sourced from PubChem (CID 157263661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).