2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid

C11H6N4O2S — CID 55104969

IUPAC2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid
SMILESN#Cc1nccnc1Sc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H6N4O2S/c12-6-8-10(15-4-3-13-8)18-9-5-7(11(16)17)1-2-14-9/h1-5H,(H,16,17)
InChIKeyGSAGPOFTVRUPOV-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.59
Rot. Bonds3

About 2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid

2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid (PubChem CID 55104969) has the molecular formula C11H6N4O2S and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid
PubChem CID55104969
Molecular FormulaC11H6N4O2S
Molecular Weight258.26 g/mol
Exact Mass258.02
IUPAC Name2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid
SMILESN#Cc1nccnc1Sc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H6N4O2S/c12-6-8-10(15-4-3-13-8)18-9-5-7(11(16)17)1-2-14-9/h1-5H,(H,16,17)
InChIKeyGSAGPOFTVRUPOV-UHFFFAOYSA-N
XLogP1.59
TPSA99.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid (CID 55104969) is 2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid is N#Cc1nccnc1Sc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid?
The InChIKey is GSAGPOFTVRUPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O2S/c12-6-8-10(15-4-3-13-8)18-9-5-7(11(16)17)1-2-14-9/h1-5H,(H,16,17).
What are the key properties of 2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid?
2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid has a molecular weight of 258.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 55104969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).