8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine

C8H11BrN2 — CID 86584174

IUPAC8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine
SMILESBrN1CC=CC2=C1NCCC2
InChIInChI=1S/C8H11BrN2/c9-11-6-2-4-7-3-1-5-10-8(7)11/h2,4,10H,1,3,5-6H2
InChIKeyZGZPKKMHMFBYES-UHFFFAOYSA-N
MW215.09 g/mol
LogP1.76
Rot. Bonds

About 8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine

8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine (PubChem CID 86584174) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine.

Molecular Properties

Compound Name8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine
PubChem CID86584174
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine
SMILESBrN1CC=CC2=C1NCCC2
InChIInChI=1S/C8H11BrN2/c9-11-6-2-4-7-3-1-5-10-8(7)11/h2,4,10H,1,3,5-6H2
InChIKeyZGZPKKMHMFBYES-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine 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 8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine?
The IUPAC name of 8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine (CID 86584174) is 8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine.
What is the SMILES notation for 8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine?
The canonical SMILES for 8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine is BrN1CC=CC2=C1NCCC2.
What is the InChIKey of 8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine?
The InChIKey is ZGZPKKMHMFBYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c9-11-6-2-4-7-3-1-5-10-8(7)11/h2,4,10H,1,3,5-6H2.
What are the key properties of 8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine?
8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine has a molecular weight of 215.09 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,3,4,7-tetrahydro-1H-1,8-naphthyridine is sourced from PubChem (CID 86584174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).