6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid

C₉H₉BrN₂O₂ — CID 155093131

About 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid

6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid (PubChem CID 155093131) has the molecular formula C₉H₉BrN₂O₂ and a molecular weight of 257.09 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
• PubChem CID: 155093131
• Molecular Formula: C₉H₉BrN₂O₂
• Molecular Weight: 257.09 g/mol
• Exact Mass: 255.98
• IUPAC Name: 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
• SMILES: O=C(O)N1CCCc2nc(Br)ccc21
• InChI: InChI=1S/C9H9BrN2O2/c10-8-4-3-7-6(11-8)2-1-5-12(7)9(13)14/h3-4H,1-2,5H2,(H,13,14)
• InChIKey: GRXVFNFADRIDOK-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 53.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.09
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?

The IUPAC name of 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid (CID 155093131) is 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid.

What is the SMILES notation for 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?

The canonical SMILES for 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid is O=C(O)N1CCCc2nc(Br)ccc21.

What is the InChIKey of 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?

The InChIKey is GRXVFNFADRIDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c10-8-4-3-7-6(11-8)2-1-5-12(7)9(13)14/h3-4H,1-2,5H2,(H,13,14).

What are the key properties of 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?

6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid has a molecular weight of 257.09 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 155093131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155093131 — identifiers, structure, computed properties (public domain)

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