2-bromo-8-chloro-3-methoxy-1,5-naphthyridine

C9H6BrClN2O — CID 139349489

IUPAC2-bromo-8-chloro-3-methoxy-1,5-naphthyridine
SMILESCOc1cc2nccc(Cl)c2nc1Br
InChIInChI=1S/C9H6BrClN2O/c1-14-7-4-6-8(13-9(7)10)5(11)2-3-12-6/h2-4H,1H3
InChIKeyHZLCRQFDYWNJHW-UHFFFAOYSA-N
MW273.52 g/mol
LogP3.05
Rot. Bonds1

About 2-bromo-8-chloro-3-methoxy-1,5-naphthyridine

2-bromo-8-chloro-3-methoxy-1,5-naphthyridine (PubChem CID 139349489) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is 2-bromo-8-chloro-3-methoxy-1,5-naphthyridine.

Molecular Properties

Compound Name2-bromo-8-chloro-3-methoxy-1,5-naphthyridine
PubChem CID139349489
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC Name2-bromo-8-chloro-3-methoxy-1,5-naphthyridine
SMILESCOc1cc2nccc(Cl)c2nc1Br
InChIInChI=1S/C9H6BrClN2O/c1-14-7-4-6-8(13-9(7)10)5(11)2-3-12-6/h2-4H,1H3
InChIKeyHZLCRQFDYWNJHW-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-8-chloro-3-methoxy-1,5-naphthyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-8-chloro-1,5-naphthyridine
CID 96880051
3-bromo-8-chloro-1,5-naphthyridine
CID 13459137
3-chloro-8-methoxy-1,5-naphthyridine
CID 155294269
7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline
CID 168842805
4-chloro-7-methoxy-6-(methoxymethoxy)quinoline
CID 155125376
4-chloro-6-isocyano-7-methoxyquinoline
CID 59712237
4,5-dichloro-8-methoxyquinoline
CID 43531957
methane;4,6,7-trimethoxyquinoline
CID 157066291
8-chloro-2-ethoxy-1,5-naphthyridine
CID 602078
(4-chloro-7-methoxyquinolin-6-yl)carbamic acid
CID 22936428
2-bromo-4-chloro-6,7-dimethoxyquinoline
CID 139329626
6-bromo-5-methoxy-2-methylpyridin-3-amine
CID 130114381

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-chloro-3-methoxy-1,5-naphthyridine?
The IUPAC name of 2-bromo-8-chloro-3-methoxy-1,5-naphthyridine (CID 139349489) is 2-bromo-8-chloro-3-methoxy-1,5-naphthyridine.
What is the SMILES notation for 2-bromo-8-chloro-3-methoxy-1,5-naphthyridine?
The canonical SMILES for 2-bromo-8-chloro-3-methoxy-1,5-naphthyridine is COc1cc2nccc(Cl)c2nc1Br.
What is the InChIKey of 2-bromo-8-chloro-3-methoxy-1,5-naphthyridine?
The InChIKey is HZLCRQFDYWNJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c1-14-7-4-6-8(13-9(7)10)5(11)2-3-12-6/h2-4H,1H3.
What are the key properties of 2-bromo-8-chloro-3-methoxy-1,5-naphthyridine?
2-bromo-8-chloro-3-methoxy-1,5-naphthyridine has a molecular weight of 273.52 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-chloro-3-methoxy-1,5-naphthyridine is sourced from PubChem (CID 139349489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).