(6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C57H57B3Br2N10O6 — CID 157189322

About (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

(6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 157189322) has the molecular formula C57H57B3Br2N10O6 and a molecular weight of 1170.39 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 157189322
• Molecular Formula: C57H57B3Br2N10O6
• Molecular Weight: 1170.39 g/mol
• Exact Mass: 1168.31
• IUPAC Name: (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: Brc1ccc(N=C(c2ccccc2)c2ccccc2)nc1.CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Nc1ccc(B(O)O)cn1.Nc1ccc(Br)cn1.OB(O)c1ccc(N=C(c2ccccc2)c2ccccc2)nc1
• InChI: InChI=1S/C18H15BN2O2.C18H13BrN2.C11H17BN2O2.C5H7BN2O2.C5H5BrN2/c22-19(23)16-11-12-17(20-13-16)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-16-11-12-17(20-13-16)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;7-5-2-1-4(3-8-5)6(9)10;6-4-1-2-5(7)8-3-4/h1-13,22-23H;1-13H;5-7H,1-4H3,(H2,13,14);1-3,9-10H,(H2,7,8);1-3H,(H2,7,8)
• InChIKey: APMVSFTWDMUNBU-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 266.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1170.39
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 157189322) is (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is Brc1ccc(N=C(c2ccccc2)c2ccccc2)nc1.CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Nc1ccc(B(O)O)cn1.Nc1ccc(Br)cn1.OB(O)c1ccc(N=C(c2ccccc2)c2ccccc2)nc1.

What is the InChIKey of (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is APMVSFTWDMUNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BN2O2.C18H13BrN2.C11H17BN2O2.C5H7BN2O2.C5H5BrN2/c22-19(23)16-11-12-17(20-13-16)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-16-11-12-17(20-13-16)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;7-5-2-1-4(3-8-5)6(9)10;6-4-1-2-5(7)8-3-4/h1-13,22-23H;1-13H;5-7H,1-4H3,(H2,13,14);1-3,9-10H,(H2,7,8);1-3H,(H2,7,8).

What are the key properties of (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

(6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1170.39 g/mol, XLogP of 7.68, 9 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 157189322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).