2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid

C10H7N3O3S — CID 114570693

IUPAC2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Sc1ncc[nH]c1=O
InChIInChI=1S/C10H7N3O3S/c14-7-9(13-5-4-11-7)17-8-6(10(15)16)2-1-3-12-8/h1-5H,(H,11,14)(H,15,16)
InChIKeyIEIFGSMVWVVUJO-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.01
Rot. Bonds3

About 2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid

2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid (PubChem CID 114570693) has the molecular formula C10H7N3O3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid
PubChem CID114570693
Molecular FormulaC10H7N3O3S
Molecular Weight249.25 g/mol
Exact Mass249.02
IUPAC Name2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Sc1ncc[nH]c1=O
InChIInChI=1S/C10H7N3O3S/c14-7-9(13-5-4-11-7)17-8-6(10(15)16)2-1-3-12-8/h1-5H,(H,11,14)(H,15,16)
InChIKeyIEIFGSMVWVVUJO-UHFFFAOYSA-N
XLogP1.01
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid
CID 114570716
2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid
CID 62482824
2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 11644442
2-(3,6-dimethylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65416667
2-(trisulfanyl)pyridine-3-carboxylic acid
CID 129081855
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 43395315
2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylic acid
CID 60702126
2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid
CID 60732308
2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid
CID 80700083
2-(4-ethylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid
CID 43453329
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 64588756

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid (CID 114570693) is 2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1Sc1ncc[nH]c1=O.
What is the InChIKey of 2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid?
The InChIKey is IEIFGSMVWVVUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3S/c14-7-9(13-5-4-11-7)17-8-6(10(15)16)2-1-3-12-8/h1-5H,(H,11,14)(H,15,16).
What are the key properties of 2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid?
2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid has a molecular weight of 249.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114570693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).