6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid

C12H9N3O4S — CID 66455882

IUPAC6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
SMILESCOC(=O)c1cncc(Sc2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C12H9N3O4S/c1-19-12(18)8-5-13-6-10(15-8)20-9-3-2-7(4-14-9)11(16)17/h2-6H,1H3,(H,16,17)
InChIKeyGYAAKGWAXHUXIK-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.51
Rot. Bonds4

About 6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid

6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid (PubChem CID 66455882) has the molecular formula C12H9N3O4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
PubChem CID66455882
Molecular FormulaC12H9N3O4S
Molecular Weight291.29 g/mol
Exact Mass291.03
IUPAC Name6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
SMILESCOC(=O)c1cncc(Sc2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C12H9N3O4S/c1-19-12(18)8-5-13-6-10(15-8)20-9-3-2-7(4-14-9)11(16)17/h2-6H,1H3,(H,16,17)
InChIKeyGYAAKGWAXHUXIK-UHFFFAOYSA-N
XLogP1.51
TPSA102.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-methoxycarbonylpyrazin-2-yl)sulfanylbenzoic acid
CID 66456271
methyl 6-(4-chlorophenyl)sulfanylpyrazine-2-carboxylate
CID 66452135
methyl 6-(4-methoxyphenyl)sulfanylpyrazine-2-carboxylate
CID 66449986
methyl 6-(2-chlorophenyl)sulfanylpyrazine-2-carboxylate
CID 66451749
methyl 6-[(3-bromo-2-pyridinyl)sulfanyl]pyrazine-2-carboxylate
CID 66449217
methyl 6-phenylsulfanylpyridine-3-carboxylate
CID 54238786
6-(2-methoxyphenyl)sulfanylpyridine-3-carboxylic acid
CID 55136319
methyl 6-(3-bromophenyl)sulfanylpyrazine-2-carboxylate
CID 66450002
methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate
CID 66451373
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
6-(4-acetylphenyl)sulfanylpyridine-3-carboxylic acid
CID 61329285
methyl 6-tert-butylsulfanylpyridine-3-carboxylate
CID 102546899

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid (CID 66455882) is 6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid is COC(=O)c1cncc(Sc2ccc(C(=O)O)cn2)n1.
What is the InChIKey of 6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is GYAAKGWAXHUXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4S/c1-19-12(18)8-5-13-6-10(15-8)20-9-3-2-7(4-14-9)11(16)17/h2-6H,1H3,(H,16,17).
What are the key properties of 6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid?
6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 291.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 66455882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).