6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid

C9H7BrN2O3 — CID 22139065

IUPAC6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(Br)cnc2NC1=O
InChIInChI=1S/C9H7BrN2O3/c10-5-1-4-2-6(9(14)15)8(13)12-7(4)11-3-5/h1,3,6H,2H2,(H,14,15)(H,11,12,13)
InChIKeyWRASSJUTKYSGRG-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.04
Rot. Bonds1

About 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid

6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 22139065) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID22139065
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(Br)cnc2NC1=O
InChIInChI=1S/C9H7BrN2O3/c10-5-1-4-2-6(9(14)15)8(13)12-7(4)11-3-5/h1,3,6H,2H2,(H,14,15)(H,11,12,13)
InChIKeyWRASSJUTKYSGRG-UHFFFAOYSA-N
XLogP1.04
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid (CID 22139065) is 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid is O=C(O)C1Cc2cc(Br)cnc2NC1=O.
What is the InChIKey of 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is WRASSJUTKYSGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c10-5-1-4-2-6(9(14)15)8(13)12-7(4)11-3-5/h1,3,6H,2H2,(H,14,15)(H,11,12,13).
What are the key properties of 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid?
6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 271.07 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 22139065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).