7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride

C8H10BrClN2 — CID 139035179

IUPAC7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
SMILESBrc1cc2c(cn1)CCNC2.Cl
InChIInChI=1S/C8H9BrN2.ClH/c9-8-3-7-4-10-2-1-6(7)5-11-8;/h3,5,10H,1-2,4H2;1H
InChIKeyQDOCJJNYCORFSI-UHFFFAOYSA-N
MW249.54 g/mol
LogP1.91
Rot. Bonds

About 7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride

7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride (PubChem CID 139035179) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is 7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride.

Molecular Properties

Compound Name7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
PubChem CID139035179
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
SMILESBrc1cc2c(cn1)CCNC2.Cl
InChIInChI=1S/C8H9BrN2.ClH/c9-8-3-7-4-10-2-1-6(7)5-11-8;/h3,5,10H,1-2,4H2;1H
InChIKeyQDOCJJNYCORFSI-UHFFFAOYSA-N
XLogP1.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride 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 7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
The IUPAC name of 7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride (CID 139035179) is 7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride.
What is the SMILES notation for 7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
The canonical SMILES for 7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride is Brc1cc2c(cn1)CCNC2.Cl.
What is the InChIKey of 7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
The InChIKey is QDOCJJNYCORFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2.ClH/c9-8-3-7-4-10-2-1-6(7)5-11-8;/h3,5,10H,1-2,4H2;1H.
What are the key properties of 7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride has a molecular weight of 249.54 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride is sourced from PubChem (CID 139035179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).