3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid

C8H6N2O2S — CID 116984038

IUPAC3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1[nH]c(=S)n2ccccc12
InChIInChI=1S/C8H6N2O2S/c11-7(12)6-5-3-1-2-4-10(5)8(13)9-6/h1-4H,(H,9,13)(H,11,12)
InChIKeyHMVFYKJMMLUZIQ-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.70
Rot. Bonds1

About 3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid

3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 116984038) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID116984038
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1[nH]c(=S)n2ccccc12
InChIInChI=1S/C8H6N2O2S/c11-7(12)6-5-3-1-2-4-10(5)8(13)9-6/h1-4H,(H,9,13)(H,11,12)
InChIKeyHMVFYKJMMLUZIQ-UHFFFAOYSA-N
XLogP1.70
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24966439
1-fluoro-4-oxoquinolizine-3-carboxylic acid
CID 56610835
3-benzoylindolizine-1-carboxylic acid
CID 71356515
2-phenoxyethyl 3-oxo-2H-imidazo[1,5-a]pyridine-1-carboxylate
CID 70431859
pyrido[2,3-b]indolizine-10-carboxylic acid
CID 112545488
3-chloro-2-methylindolizine-1-carboxylic acid
CID 174650392
1-cyanoindolizine-3-carboxylic acid
CID 10888656
1-(methylamino)-2H-imidazo[1,5-a]pyridin-3-one
CID 137437063
3-(2-sulfanylidene-3H-benzimidazol-1-yl)propanoic acid
CID 14453587
2-(3-amino-4-oxoquinolizin-1-yl)acetic acid
CID 82393340
3-hydrazinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984081
1-isocyanatoindolizine-3-carboxylic acid
CID 142793303

Frequently Asked Questions

What is the IUPAC name of 3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid (CID 116984038) is 3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1[nH]c(=S)n2ccccc12.
What is the InChIKey of 3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is HMVFYKJMMLUZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-7(12)6-5-3-1-2-4-10(5)8(13)9-6/h1-4H,(H,9,13)(H,11,12).
What are the key properties of 3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid?
3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 194.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 116984038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).