4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine

C50H48B2BrCl3N12O10 — CID 161049952

About 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine

4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine (PubChem CID 161049952) has the molecular formula C50H48B2BrCl3N12O10 and a molecular weight of 1184.89 g/mol. Its IUPAC name is 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine
• PubChem CID: 161049952
• Molecular Formula: C50H48B2BrCl3N12O10
• Molecular Weight: 1184.89 g/mol
• Exact Mass: 1182.21
• IUPAC Name: 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine
• SMILES: CC1(C)OB(c2ccc(O)c(Cl)c2)OC1(C)C.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ccco2)n1.Nc1cnc(Br)c(-c2ccco2)n1.Nc1cncc(-c2ccco2)n1.Nc1cncc(Cl)n1.OB(O)c1ccco1
• InChI: InChI=1S/C14H10ClN3O2.C12H16BClO3.C8H6BrN3O.C8H7N3O.C4H5BO3.C4H4ClN3/c15-9-6-8(3-4-10(9)19)13-14(11-2-1-5-20-11)18-12(16)7-17-13;1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8;9-8-7(5-2-1-3-13-5)12-6(10)4-11-8;9-8-5-10-4-6(11-8)7-2-1-3-12-7;6-5(7)4-2-1-3-8-4;5-3-1-7-2-4(6)8-3/h1-7,19H,(H2,16,18);5-7,15H,1-4H3;1-4H,(H2,10,12);1-5H,(H2,9,11);1-3,6-7H;1-2H,(H2,6,8)
• InChIKey: UBZVBOBJTDNGTI-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 359.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1184.89
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine?

The IUPAC name of 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine (CID 161049952) is 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine.

What is the SMILES notation for 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine?

The canonical SMILES for 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine is CC1(C)OB(c2ccc(O)c(Cl)c2)OC1(C)C.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ccco2)n1.Nc1cnc(Br)c(-c2ccco2)n1.Nc1cncc(-c2ccco2)n1.Nc1cncc(Cl)n1.OB(O)c1ccco1.

What is the InChIKey of 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine?

The InChIKey is UBZVBOBJTDNGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2.C12H16BClO3.C8H6BrN3O.C8H7N3O.C4H5BO3.C4H4ClN3/c15-9-6-8(3-4-10(9)19)13-14(11-2-1-5-20-11)18-12(16)7-17-13;1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8;9-8-7(5-2-1-3-13-5)12-6(10)4-11-8;9-8-5-10-4-6(11-8)7-2-1-3-12-7;6-5(7)4-2-1-3-8-4;5-3-1-7-2-4(6)8-3/h1-7,19H,(H2,16,18);5-7,15H,1-4H3;1-4H,(H2,10,12);1-5H,(H2,9,11);1-3,6-7H;1-2H,(H2,6,8).

What are the key properties of 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine?

4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine has a molecular weight of 1184.89 g/mol, XLogP of 8.76, 6 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-bromo-6-(furan-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;furan-2-ylboronic acid;6-(furan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 161049952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).