1,7-naphthyridine-8-sulfinic acid

C8H6N2O2S — CID 67245112

IUPAC1,7-naphthyridine-8-sulfinic acid
SMILESO=S(O)c1nccc2cccnc12
InChIInChI=1S/C8H6N2O2S/c11-13(12)8-7-6(3-5-10-8)2-1-4-9-7/h1-5H,(H,11,12)
InChIKeyPGGVHRTYOCNZFL-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.21
Rot. Bonds1

About 1,7-naphthyridine-8-sulfinic acid

1,7-naphthyridine-8-sulfinic acid (PubChem CID 67245112) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 1,7-naphthyridine-8-sulfinic acid.

Molecular Properties

Compound Name1,7-naphthyridine-8-sulfinic acid
PubChem CID67245112
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name1,7-naphthyridine-8-sulfinic acid
SMILESO=S(O)c1nccc2cccnc12
InChIInChI=1S/C8H6N2O2S/c11-13(12)8-7-6(3-5-10-8)2-1-4-9-7/h1-5H,(H,11,12)
InChIKeyPGGVHRTYOCNZFL-UHFFFAOYSA-N
XLogP1.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,7-naphthyridine-8-sulfinic acid 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

1,6-naphthyridine-8-sulfinic acid
CID 67246302
1,7-naphthyridin-8-amine
CID 2737037
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
CID 54604144
CID 54604144
quinolin-8-ol;yttrium
CID 174635627
oxozinc;quinolin-8-ol
CID 174943156

Frequently Asked Questions

What is the IUPAC name of 1,7-naphthyridine-8-sulfinic acid?
The IUPAC name of 1,7-naphthyridine-8-sulfinic acid (CID 67245112) is 1,7-naphthyridine-8-sulfinic acid.
What is the SMILES notation for 1,7-naphthyridine-8-sulfinic acid?
The canonical SMILES for 1,7-naphthyridine-8-sulfinic acid is O=S(O)c1nccc2cccnc12.
What is the InChIKey of 1,7-naphthyridine-8-sulfinic acid?
The InChIKey is PGGVHRTYOCNZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-13(12)8-7-6(3-5-10-8)2-1-4-9-7/h1-5H,(H,11,12).
What are the key properties of 1,7-naphthyridine-8-sulfinic acid?
1,7-naphthyridine-8-sulfinic acid has a molecular weight of 194.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-naphthyridine-8-sulfinic acid is sourced from PubChem (CID 67245112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).