2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine

C43H47Br3N14O2 — CID 158287346

About 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine

2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine (PubChem CID 158287346) has the molecular formula C43H47Br3N14O2 and a molecular weight of 1031.66 g/mol. Its IUPAC name is 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine.

Molecular Properties

• Compound Name: 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine
• PubChem CID: 158287346
• Molecular Formula: C43H47Br3N14O2
• Molecular Weight: 1031.66 g/mol
• Exact Mass: 1028.16
• IUPAC Name: 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine
• SMILES: Brc1cccc(Br)n1.C1CNCCNC1.N#Cc1cccnc1N.Nc1ncccc1C(=O)c1cccc(Br)n1.Nc1ncccc1C(=O)c1cccc(N2CCCNCC2)n1
• InChI: InChI=1S/C16H19N5O.C11H8BrN3O.C6H5N3.C5H3Br2N.C5H12N2/c17-16-12(4-2-8-19-16)15(22)13-5-1-6-14(20-13)21-10-3-7-18-9-11-21;12-9-5-1-4-8(15-9)10(16)7-3-2-6-14-11(7)13;7-4-5-2-1-3-9-6(5)8;6-4-2-1-3-5(7)8-4;1-2-6-4-5-7-3-1/h1-2,4-6,8,18H,3,7,9-11H2,(H2,17,19);1-6H,(H2,13,14);1-3H,(H2,8,9);1-3H;6-7H,1-5H2
• InChIKey: GKXZDQGLGQQZKH-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 252.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1031.66
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine?

The IUPAC name of 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine (CID 158287346) is 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine.

What is the SMILES notation for 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine?

The canonical SMILES for 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine is Brc1cccc(Br)n1.C1CNCCNC1.N#Cc1cccnc1N.Nc1ncccc1C(=O)c1cccc(Br)n1.Nc1ncccc1C(=O)c1cccc(N2CCCNCC2)n1.

What is the InChIKey of 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine?

The InChIKey is GKXZDQGLGQQZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O.C11H8BrN3O.C6H5N3.C5H3Br2N.C5H12N2/c17-16-12(4-2-8-19-16)15(22)13-5-1-6-14(20-13)21-10-3-7-18-9-11-21;12-9-5-1-4-8(15-9)10(16)7-3-2-6-14-11(7)13;7-4-5-2-1-3-9-6(5)8;6-4-2-1-3-5(7)8-4;1-2-6-4-5-7-3-1/h1-2,4-6,8,18H,3,7,9-11H2,(H2,17,19);1-6H,(H2,13,14);1-3H,(H2,8,9);1-3H;6-7H,1-5H2.

What are the key properties of 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine?

2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine has a molecular weight of 1031.66 g/mol, XLogP of 5.85, 5 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine is sourced from PubChem (CID 158287346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).