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

C9H9BrN2O2 — CID 155093131

IUPAC6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
SMILESO=C(O)N1CCCc2nc(Br)ccc21
InChIInChI=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)
InChIKeyGRXVFNFADRIDOK-UHFFFAOYSA-N
MW257.09 g/mol
LogP2.27
Rot. Bonds

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 Name6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
PubChem CID155093131
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
SMILESO=C(O)N1CCCc2nc(Br)ccc21
InChIInChI=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)
InChIKeyGRXVFNFADRIDOK-UHFFFAOYSA-N
XLogP2.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).