1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium

C7H6N2S — CID 175004095

IUPAC1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium
SMILES[S-][NH+]1C=Cc2cccnc21
InChIInChI=1S/C7H6N2S/c10-9-5-3-6-2-1-4-8-7(6)9/h1-5,9H
InChIKeyUNBNCVQJHAIDKS-UHFFFAOYSA-N
MW150.21 g/mol
LogP0.04
Rot. Bonds

About 1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium

1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium (PubChem CID 175004095) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium.

Molecular Properties

Compound Name1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium
PubChem CID175004095
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium
SMILES[S-][NH+]1C=Cc2cccnc21
InChIInChI=1S/C7H6N2S/c10-9-5-3-6-2-1-4-8-7(6)9/h1-5,9H
InChIKeyUNBNCVQJHAIDKS-UHFFFAOYSA-N
XLogP0.04
TPSA17.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium?
The IUPAC name of 1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium (CID 175004095) is 1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium.
What is the SMILES notation for 1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium?
The canonical SMILES for 1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium is [S-][NH+]1C=Cc2cccnc21.
What is the InChIKey of 1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium?
The InChIKey is UNBNCVQJHAIDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c10-9-5-3-6-2-1-4-8-7(6)9/h1-5,9H.
What are the key properties of 1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium?
1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium has a molecular weight of 150.21 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium is sourced from PubChem (CID 175004095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).