6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid

C8H6N2O2S — CID 169156914

IUPAC6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c[nH]c(=S)cc2[nH]1
InChIInChI=1S/C8H6N2O2S/c11-8(12)6-1-4-3-9-7(13)2-5(4)10-6/h1-3,10H,(H,9,13)(H,11,12)
InChIKeyBBNFLEFENBILNK-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.92
Rot. Bonds1

About 6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid

6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 169156914) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID169156914
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c[nH]c(=S)cc2[nH]1
InChIInChI=1S/C8H6N2O2S/c11-8(12)6-1-4-3-9-7(13)2-5(4)10-6/h1-3,10H,(H,9,13)(H,11,12)
InChIKeyBBNFLEFENBILNK-UHFFFAOYSA-N
XLogP1.92
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 169156914) is 6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c[nH]c(=S)cc2[nH]1.
What is the InChIKey of 6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is BBNFLEFENBILNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-8(12)6-1-4-3-9-7(13)2-5(4)10-6/h1-3,10H,(H,9,13)(H,11,12).
What are the key properties of 6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid?
6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 194.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanylidene-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 169156914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).