1,6-naphthyridine-8-sulfinic acid

C8H6N2O2S — CID 67246302

IUPAC1,6-naphthyridine-8-sulfinic acid
SMILESO=S(O)c1cncc2cccnc12
InChIInChI=1S/C8H6N2O2S/c11-13(12)7-5-9-4-6-2-1-3-10-8(6)7/h1-5H,(H,11,12)
InChIKeyHDXPFPBBKJVBFE-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.21
Rot. Bonds1

About 1,6-naphthyridine-8-sulfinic acid

1,6-naphthyridine-8-sulfinic acid (PubChem CID 67246302) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 1,6-naphthyridine-8-sulfinic acid.

Molecular Properties

Compound Name1,6-naphthyridine-8-sulfinic acid
PubChem CID67246302
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name1,6-naphthyridine-8-sulfinic acid
SMILESO=S(O)c1cncc2cccnc12
InChIInChI=1S/C8H6N2O2S/c11-13(12)7-5-9-4-6-2-1-3-10-8(6)7/h1-5H,(H,11,12)
InChIKeyHDXPFPBBKJVBFE-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'}

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Related Compounds

quinazoline-8-sulfinic acid
CID 57009090
4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid
CID 141415010
ethane;1,6-naphthyridin-8-ol
CID 90698310
1,6-naphthyridin-8-amine
CID 55290958
1,6-naphthyridine-8-carbaldehyde
CID 53421929
1,7-naphthyridine-8-sulfinic acid
CID 67245112
4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 151797185
5,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-3-carboxylic acid
CID 91511111
pyrido[3,2-h]quinazoline
CID 55297723
8-isocyano-1,6-naphthyridine
CID 58972917
8-methylsulfinylquinoline;hydrate
CID 143541926
8-(difluoromethyl)-1,6-naphthyridine
CID 163747519

Frequently Asked Questions

What is the IUPAC name of 1,6-naphthyridine-8-sulfinic acid?
The IUPAC name of 1,6-naphthyridine-8-sulfinic acid (CID 67246302) is 1,6-naphthyridine-8-sulfinic acid.
What is the SMILES notation for 1,6-naphthyridine-8-sulfinic acid?
The canonical SMILES for 1,6-naphthyridine-8-sulfinic acid is O=S(O)c1cncc2cccnc12.
What is the InChIKey of 1,6-naphthyridine-8-sulfinic acid?
The InChIKey is HDXPFPBBKJVBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-13(12)7-5-9-4-6-2-1-3-10-8(6)7/h1-5H,(H,11,12).
What are the key properties of 1,6-naphthyridine-8-sulfinic acid?
1,6-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 1,6-naphthyridine-8-sulfinic acid is sourced from PubChem (CID 67246302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).