4-Amino-6-bromonicotinonitrile

C₆H₄BrN₃ — CID 118811829

About 4-Amino-6-bromonicotinonitrile

4-Amino-6-bromonicotinonitrile (PubChem CID 118811829) has the molecular formula C₆H₄BrN₃ and a molecular weight of 198.02 g/mol. Its IUPAC name is 4-amino-6-bromopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-Amino-6-bromonicotinonitrile
• PubChem CID: 118811829
• Molecular Formula: C₆H₄BrN₃
• Molecular Weight: 198.02 g/mol
• Exact Mass: 196.96
• IUPAC Name: 4-amino-6-bromopyridine-3-carbonitrile
• SMILES: N#Cc1cnc(Br)cc1N
• InChI: InChI=1S/C6H4BrN3/c7-6-1-5(9)4(2-8)3-10-6/h1,3H,(H2,9,10)
• InChIKey: OJJVCKKEUFHYLC-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 62.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	198.02
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-Amino-6-bromonicotinonitrile?

The IUPAC name of 4-Amino-6-bromonicotinonitrile (CID 118811829) is 4-amino-6-bromopyridine-3-carbonitrile.

What is the SMILES notation for 4-Amino-6-bromonicotinonitrile?

The canonical SMILES for 4-Amino-6-bromonicotinonitrile is N#Cc1cnc(Br)cc1N.

What is the InChIKey of 4-Amino-6-bromonicotinonitrile?

The InChIKey is OJJVCKKEUFHYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-6-1-5(9)4(2-8)3-10-6/h1,3H,(H2,9,10).

What are the key properties of 4-Amino-6-bromonicotinonitrile?

4-Amino-6-bromonicotinonitrile has a molecular weight of 198.02 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-Amino-6-bromonicotinonitrile is sourced from PubChem (CID 118811829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118811829 — identifiers, structure, computed properties (public domain)

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