3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C56H66B2BrClN12O4 — CID 158471790

About 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 158471790) has the molecular formula C56H66B2BrClN12O4 and a molecular weight of 1108.20 g/mol. Its IUPAC name is 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 158471790
• Molecular Formula: C56H66B2BrClN12O4
• Molecular Weight: 1108.20 g/mol
• Exact Mass: 1106.44
• IUPAC Name: 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cc1cnccc1-c1ccc(N)nc1.Cc1cnccc1-c1cnc(N)c(B2OC(C)(C)C(C)(C)O2)c1.Cc1cnccc1-c1cnc(N)c(Br)c1.Cc1cnccc1Cl
• InChI: InChI=1S/C17H22BN3O2.C11H17BN2O2.C11H10BrN3.C11H11N3.C6H6ClN/c1-11-9-20-7-6-13(11)12-8-14(15(19)21-10-12)18-22-16(2,3)17(4,5)23-18;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-7-5-14-3-2-9(7)8-4-10(12)11(13)15-6-8;1-8-6-13-5-4-10(8)9-2-3-11(12)14-7-9;1-5-4-8-3-2-6(5)7/h6-10H,1-5H3,(H2,19,21);5-7H,1-4H3,(H2,13,14);2-6H,1H3,(H2,13,15);2-7H,1H3,(H2,12,14);2-4H,1H3
• InChIKey: HGKYHWHWMBRHJC-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 244.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1108.20
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 158471790) is 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cc1cnccc1-c1ccc(N)nc1.Cc1cnccc1-c1cnc(N)c(B2OC(C)(C)C(C)(C)O2)c1.Cc1cnccc1-c1cnc(N)c(Br)c1.Cc1cnccc1Cl.

What is the InChIKey of 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is HGKYHWHWMBRHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BN3O2.C11H17BN2O2.C11H10BrN3.C11H11N3.C6H6ClN/c1-11-9-20-7-6-13(11)12-8-14(15(19)21-10-12)18-22-16(2,3)17(4,5)23-18;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-7-5-14-3-2-9(7)8-4-10(12)11(13)15-6-8;1-8-6-13-5-4-10(8)9-2-3-11(12)14-7-9;1-5-4-8-3-2-6(5)7/h6-10H,1-5H3,(H2,19,21);5-7H,1-4H3,(H2,13,14);2-6H,1H3,(H2,13,15);2-7H,1H3,(H2,12,14);2-4H,1H3.

What are the key properties of 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1108.20 g/mol, XLogP of 10.17, 5 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 158471790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).