3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate

C62H63B2Br2ClF4N12O14 — CID 157415346

About 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate

3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate (PubChem CID 157415346) has the molecular formula C62H63B2Br2ClF4N12O14 and a molecular weight of 1493.13 g/mol. Its IUPAC name is 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate.

Molecular Properties

• Compound Name: 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
• PubChem CID: 157415346
• Molecular Formula: C62H63B2Br2ClF4N12O14
• Molecular Weight: 1493.13 g/mol
• Exact Mass: 1490.28
• IUPAC Name: 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
• SMILES: CC1(C)OB(C2=CCC3(CC2)OCCO3)OC1(C)C.COC(=O)c1ccc(-c2nc(Br)cnc2N)cc1F.COC(=O)c1ccc(-c2nc(Br)cnc2N)cc1F.COC(=O)c1ccc(-c2nccnc2N)cc1F.COC(=O)c1ccc(B(O)O)cc1F.Nc1nccnc1Cl
• InChI: InChI=1S/C14H23BO4.2C12H9BrFN3O2.C12H10FN3O2.C8H8BFO4.C4H4ClN3/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14;2*1-19-12(18)7-3-2-6(4-8(7)14)10-11(15)16-5-9(13)17-10;1-18-12(17)8-3-2-7(6-9(8)13)10-11(14)16-5-4-15-10;1-14-8(11)6-3-2-5(9(12)13)4-7(6)10;5-3-4(6)8-2-1-7-3/h5H,6-10H2,1-4H3;2*2-5H,1H3,(H2,15,16);2-6H,1H3,(H2,14,16);2-4,12-13H,1H3;1-2H,(H2,6,8)
• InChIKey: BOTXXMFGDGDBRO-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 389.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 9
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1493.13
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate?

The IUPAC name of 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate (CID 157415346) is 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate.

What is the SMILES notation for 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate?

The canonical SMILES for 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate is CC1(C)OB(C2=CCC3(CC2)OCCO3)OC1(C)C.COC(=O)c1ccc(-c2nc(Br)cnc2N)cc1F.COC(=O)c1ccc(-c2nc(Br)cnc2N)cc1F.COC(=O)c1ccc(-c2nccnc2N)cc1F.COC(=O)c1ccc(B(O)O)cc1F.Nc1nccnc1Cl.

What is the InChIKey of 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate?

The InChIKey is BOTXXMFGDGDBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BO4.2C12H9BrFN3O2.C12H10FN3O2.C8H8BFO4.C4H4ClN3/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14;2*1-19-12(18)7-3-2-6(4-8(7)14)10-11(15)16-5-9(13)17-10;1-18-12(17)8-3-2-7(6-9(8)13)10-11(14)16-5-4-15-10;1-14-8(11)6-3-2-5(9(12)13)4-7(6)10;5-3-4(6)8-2-1-7-3/h5H,6-10H2,1-4H3;2*2-5H,1H3,(H2,15,16);2-6H,1H3,(H2,14,16);2-4,12-13H,1H3;1-2H,(H2,6,8).

What are the key properties of 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate?

3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate has a molecular weight of 1493.13 g/mol, XLogP of 8.95, 9 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloropyrazin-2-amine;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;bis(methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate);methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate is sourced from PubChem (CID 157415346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).