5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid

C11H6N2O3S — CID 63942215

IUPAC5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
SMILESN#Cc1ccc(Sc2ccc(C(=O)O)o2)nc1
InChIInChI=1S/C11H6N2O3S/c12-5-7-1-3-9(13-6-7)17-10-4-2-8(16-10)11(14)15/h1-4,6H,(H,14,15)
InChIKeyQZBGOALJKINUBD-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.40
Rot. Bonds3

About 5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid

5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid (PubChem CID 63942215) has the molecular formula C11H6N2O3S and a molecular weight of 246.25 g/mol. Its IUPAC name is 5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
PubChem CID63942215
Molecular FormulaC11H6N2O3S
Molecular Weight246.25 g/mol
Exact Mass246.01
IUPAC Name5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
SMILESN#Cc1ccc(Sc2ccc(C(=O)O)o2)nc1
InChIInChI=1S/C11H6N2O3S/c12-5-7-1-3-9(13-6-7)17-10-4-2-8(16-10)11(14)15/h1-4,6H,(H,14,15)
InChIKeyQZBGOALJKINUBD-UHFFFAOYSA-N
XLogP2.40
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid (CID 63942215) is 5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid is N#Cc1ccc(Sc2ccc(C(=O)O)o2)nc1.
What is the InChIKey of 5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid?
The InChIKey is QZBGOALJKINUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3S/c12-5-7-1-3-9(13-6-7)17-10-4-2-8(16-10)11(14)15/h1-4,6H,(H,14,15).
What are the key properties of 5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid?
5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid has a molecular weight of 246.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid is sourced from PubChem (CID 63942215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).