3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane

C55H51BBr2Cl3N9O2 — CID 161234754

About 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane

3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane (PubChem CID 161234754) has the molecular formula C55H51BBr2Cl3N9O2 and a molecular weight of 1147.05 g/mol. Its IUPAC name is 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
• PubChem CID: 161234754
• Molecular Formula: C55H51BBr2Cl3N9O2
• Molecular Weight: 1147.05 g/mol
• Exact Mass: 1143.17
• IUPAC Name: 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
• SMILES: Cc1ccc(-c2cc(Cl)cnc2C#N)cc1.Cc1ccc(-c2cc(Cl)cnc2N)cc1.Cc1ccc(-c2nc(Br)cnc2C#N)cc1.Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Nc1ncc(Cl)cc1Br
• InChI: InChI=1S/C13H19BO2.C13H9ClN2.C12H8BrN3.C12H11ClN2.C5H4BrClN2/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14;1-9-2-4-10(5-3-9)12-6-11(14)8-16-13(12)7-15;1-8-2-4-9(5-3-8)12-10(6-14)15-7-11(13)16-12;1-8-2-4-9(5-3-8)11-6-10(13)7-15-12(11)14;6-4-1-3(7)2-9-5(4)8/h6-9H,1-5H3;2-6,8H,1H3;2-5,7H,1H3;2-7H,1H3,(H2,14,15);1-2H,(H2,8,9)
• InChIKey: UZFMWAAFHMZCGS-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 182.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1147.05
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane?

The IUPAC name of 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane (CID 161234754) is 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane.

What is the SMILES notation for 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane?

The canonical SMILES for 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane is Cc1ccc(-c2cc(Cl)cnc2C#N)cc1.Cc1ccc(-c2cc(Cl)cnc2N)cc1.Cc1ccc(-c2nc(Br)cnc2C#N)cc1.Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Nc1ncc(Cl)cc1Br.

What is the InChIKey of 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane?

The InChIKey is UZFMWAAFHMZCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BO2.C13H9ClN2.C12H8BrN3.C12H11ClN2.C5H4BrClN2/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14;1-9-2-4-10(5-3-9)12-6-11(14)8-16-13(12)7-15;1-8-2-4-9(5-3-8)12-10(6-14)15-7-11(13)16-12;1-8-2-4-9(5-3-8)11-6-10(13)7-15-12(11)14;6-4-1-3(7)2-9-5(4)8/h6-9H,1-5H3;2-6,8H,1H3;2-5,7H,1H3;2-7H,1H3,(H2,14,15);1-2H,(H2,8,9).

What are the key properties of 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane?

3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane has a molecular weight of 1147.05 g/mol, XLogP of 14.33, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161234754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).