2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine

C51H77BrN8 — CID 157399503

About 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine

2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine (PubChem CID 157399503) has the molecular formula C51H77BrN8 and a molecular weight of 882.14 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine.

Molecular Properties

• Compound Name: 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine
• PubChem CID: 157399503
• Molecular Formula: C51H77BrN8
• Molecular Weight: 882.14 g/mol
• Exact Mass: 880.55
• IUPAC Name: 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine
• SMILES: Brc1cccc(C2=Nc3ccccc3C2)n1.C.C.C.CC.CC.CC.CC.CC.CC.Nc1ccccn1.c1ccc(Nc2cccc(C3=Nc4ccccc4C3)n2)nc1
• InChI: InChI=1S/C18H14N4.C13H9BrN2.C5H6N2.6C2H6.3CH4/c1-2-7-14-13(6-1)12-16(20-14)15-8-5-10-18(21-15)22-17-9-3-4-11-19-17;14-13-7-3-6-11(16-13)12-8-9-4-1-2-5-10(9)15-12;6-5-3-1-2-4-7-5;6*1-2;;;/h1-11H,12H2,(H,19,21,22);1-7H,8H2;1-4H,(H2,6,7);6*1-2H3;3*1H4
• InChIKey: BMYZJAMBSJTICZ-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 114.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.14
LogP ≤ 5	16.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine?

The IUPAC name of 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine (CID 157399503) is 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine.

What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine?

The canonical SMILES for 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine is Brc1cccc(C2=Nc3ccccc3C2)n1.C.C.C.CC.CC.CC.CC.CC.CC.Nc1ccccn1.c1ccc(Nc2cccc(C3=Nc4ccccc4C3)n2)nc1.

What is the InChIKey of 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine?

The InChIKey is BMYZJAMBSJTICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4.C13H9BrN2.C5H6N2.6C2H6.3CH4/c1-2-7-14-13(6-1)12-16(20-14)15-8-5-10-18(21-15)22-17-9-3-4-11-19-17;14-13-7-3-6-11(16-13)12-8-9-4-1-2-5-10(9)15-12;6-5-3-1-2-4-7-5;6*1-2;;;/h1-11H,12H2,(H,19,21,22);1-7H,8H2;1-4H,(H2,6,7);6*1-2H3;3*1H4.

What are the key properties of 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine?

2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine has a molecular weight of 882.14 g/mol, XLogP of 16.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine is sourced from PubChem (CID 157399503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).