6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid

C7H5N3O3S — CID 121343166

IUPAC6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid
SMILESO=Nc1ccc2ncc(S(=O)O)n2c1
InChIInChI=1S/C7H5N3O3S/c11-9-5-1-2-6-8-3-7(14(12)13)10(6)4-5/h1-4H,(H,12,13)
InChIKeyPFMGFKOKGWZMHY-UHFFFAOYSA-N
MW211.20 g/mol
LogP1.31
Rot. Bonds2

About 6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid

6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid (PubChem CID 121343166) has the molecular formula C7H5N3O3S and a molecular weight of 211.20 g/mol. Its IUPAC name is 6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid.

Molecular Properties

Compound Name6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid
PubChem CID121343166
Molecular FormulaC7H5N3O3S
Molecular Weight211.20 g/mol
Exact Mass211.01
IUPAC Name6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid
SMILESO=Nc1ccc2ncc(S(=O)O)n2c1
InChIInChI=1S/C7H5N3O3S/c11-9-5-1-2-6-8-3-7(14(12)13)10(6)4-5/h1-4H,(H,12,13)
InChIKeyPFMGFKOKGWZMHY-UHFFFAOYSA-N
XLogP1.31
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid?
The IUPAC name of 6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid (CID 121343166) is 6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid.
What is the SMILES notation for 6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid?
The canonical SMILES for 6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid is O=Nc1ccc2ncc(S(=O)O)n2c1.
What is the InChIKey of 6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid?
The InChIKey is PFMGFKOKGWZMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3S/c11-9-5-1-2-6-8-3-7(14(12)13)10(6)4-5/h1-4H,(H,12,13).
What are the key properties of 6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid?
6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid has a molecular weight of 211.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitrosoimidazo[1,2-a]pyridine-3-sulfinic acid is sourced from PubChem (CID 121343166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).