4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine

C55H62BBr2N15O2 — CID 158864794

About 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine

4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine (PubChem CID 158864794) has the molecular formula C55H62BBr2N15O2 and a molecular weight of 1135.82 g/mol. Its IUPAC name is 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine.

Molecular Properties

• Compound Name: 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine
• PubChem CID: 158864794
• Molecular Formula: C55H62BBr2N15O2
• Molecular Weight: 1135.82 g/mol
• Exact Mass: 1133.37
• IUPAC Name: 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine
• SMILES: CCc1cc(N)ncc1Br.CCc1cc2nccn2cc1Br.CCc1ccnc(N)c1.NCc1cc2nccn2cc1-c1ccccc1.NCc1ccnc(N)c1.OB(O)c1ccccc1.[C-]#[N+]c1ccnc(N)c1
• InChI: InChI=1S/C14H13N3.C9H9BrN2.C7H9BrN2.C7H10N2.C6H7BO2.C6H5N3.C6H9N3/c15-9-12-8-14-16-6-7-17(14)10-13(12)11-4-2-1-3-5-11;1-2-7-5-9-11-3-4-12(9)6-8(7)10;1-2-5-3-7(9)10-4-6(5)8;1-2-6-3-4-9-7(8)5-6;8-7(9)6-4-2-1-3-5-6;1-8-5-2-3-9-6(7)4-5;7-4-5-1-2-9-6(8)3-5/h1-8,10H,9,15H2;3-6H,2H2,1H3;3-4H,2H2,1H3,(H2,9,10);3-5H,2H2,1H3,(H2,8,9);1-5,8-9H;2-4H,(H2,7,9);1-3H,4,7H2,(H2,8,9)
• InChIKey: JBCBISIAGGKCDV-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 287.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1135.82
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine?

The IUPAC name of 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine (CID 158864794) is 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine.

What is the SMILES notation for 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine?

The canonical SMILES for 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine is CCc1cc(N)ncc1Br.CCc1cc2nccn2cc1Br.CCc1ccnc(N)c1.NCc1cc2nccn2cc1-c1ccccc1.NCc1ccnc(N)c1.OB(O)c1ccccc1.[C-]#[N+]c1ccnc(N)c1.

What is the InChIKey of 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine?

The InChIKey is JBCBISIAGGKCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.C9H9BrN2.C7H9BrN2.C7H10N2.C6H7BO2.C6H5N3.C6H9N3/c15-9-12-8-14-16-6-7-17(14)10-13(12)11-4-2-1-3-5-11;1-2-7-5-9-11-3-4-12(9)6-8(7)10;1-2-5-3-7(9)10-4-6(5)8;1-2-6-3-4-9-7(8)5-6;8-7(9)6-4-2-1-3-5-6;1-8-5-2-3-9-6(7)4-5;7-4-5-1-2-9-6(8)3-5/h1-8,10H,9,15H2;3-6H,2H2,1H3;3-4H,2H2,1H3,(H2,9,10);3-5H,2H2,1H3,(H2,8,9);1-5,8-9H;2-4H,(H2,7,9);1-3H,4,7H2,(H2,8,9).

What are the key properties of 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine?

4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine has a molecular weight of 1135.82 g/mol, XLogP of 9.04, 7 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine is sourced from PubChem (CID 158864794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).