8-bromo-3-methoxy-1,7-naphthyridine

C9H7BrN2O — CID 118568271

IUPAC8-bromo-3-methoxy-1,7-naphthyridine
SMILESCOc1cnc2c(Br)nccc2c1
InChIInChI=1S/C9H7BrN2O/c1-13-7-4-6-2-3-11-9(10)8(6)12-5-7/h2-5H,1H3
InChIKeyWCWRYIHKMDTLEC-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.40
Rot. Bonds1

About 8-bromo-3-methoxy-1,7-naphthyridine

8-bromo-3-methoxy-1,7-naphthyridine (PubChem CID 118568271) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 8-bromo-3-methoxy-1,7-naphthyridine.

Molecular Properties

Compound Name8-bromo-3-methoxy-1,7-naphthyridine
PubChem CID118568271
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name8-bromo-3-methoxy-1,7-naphthyridine
SMILESCOc1cnc2c(Br)nccc2c1
InChIInChI=1S/C9H7BrN2O/c1-13-7-4-6-2-3-11-9(10)8(6)12-5-7/h2-5H,1H3
InChIKeyWCWRYIHKMDTLEC-UHFFFAOYSA-N
XLogP2.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-bromo-3-methoxy-1,7-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-3-methoxy-1,7-naphthyridine?
The IUPAC name of 8-bromo-3-methoxy-1,7-naphthyridine (CID 118568271) is 8-bromo-3-methoxy-1,7-naphthyridine.
What is the SMILES notation for 8-bromo-3-methoxy-1,7-naphthyridine?
The canonical SMILES for 8-bromo-3-methoxy-1,7-naphthyridine is COc1cnc2c(Br)nccc2c1.
What is the InChIKey of 8-bromo-3-methoxy-1,7-naphthyridine?
The InChIKey is WCWRYIHKMDTLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-13-7-4-6-2-3-11-9(10)8(6)12-5-7/h2-5H,1H3.
What are the key properties of 8-bromo-3-methoxy-1,7-naphthyridine?
8-bromo-3-methoxy-1,7-naphthyridine has a molecular weight of 239.07 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methoxy-1,7-naphthyridine is sourced from PubChem (CID 118568271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).