6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C30H34BBrN10O2 — CID 157055638

About 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 157055638) has the molecular formula C30H34BBrN10O2 and a molecular weight of 657.39 g/mol. Its IUPAC name is 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 157055638
• Molecular Formula: C30H34BBrN10O2
• Molecular Weight: 657.39 g/mol
• Exact Mass: 656.21
• IUPAC Name: 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ncc(-c3ccnc(N)c3)cc2[nH]1.Cc1nc2ncc(Br)cc2[nH]1
• InChI: InChI=1S/C12H11N5.C11H17BN2O2.C7H6BrN3/c1-7-16-10-4-9(6-15-12(10)17-7)8-2-3-14-11(13)5-8;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;1-4-10-6-2-5(8)3-9-7(6)11-4/h2-6H,1H3,(H2,13,14)(H,15,16,17);5-7H,1-4H3,(H2,13,14);2-3H,1H3,(H,9,10,11)
• InChIKey: AASMDDRNEDJZGG-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 179.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	657.39
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 157055638) is 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ncc(-c3ccnc(N)c3)cc2[nH]1.Cc1nc2ncc(Br)cc2[nH]1.

What is the InChIKey of 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is AASMDDRNEDJZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5.C11H17BN2O2.C7H6BrN3/c1-7-16-10-4-9(6-15-12(10)17-7)8-2-3-14-11(13)5-8;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;1-4-10-6-2-5(8)3-9-7(6)11-4/h2-6H,1H3,(H2,13,14)(H,15,16,17);5-7H,1-4H3,(H2,13,14);2-3H,1H3,(H,9,10,11).

What are the key properties of 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 657.39 g/mol, XLogP of 4.90, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-methyl-1H-imidazo[4,5-b]pyridine;4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 157055638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).