methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate

C12H8F2N2O2S — CID 66449006

IUPACmethyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C12H8F2N2O2S/c1-18-12(17)9-5-15-6-11(16-9)19-10-3-2-7(13)4-8(10)14/h2-6H,1H3
InChIKeyPOTQMLLKQFDWOQ-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.69
Rot. Bonds3

About methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate

methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate (PubChem CID 66449006) has the molecular formula C12H8F2N2O2S and a molecular weight of 282.27 g/mol. Its IUPAC name is methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate
PubChem CID66449006
Molecular FormulaC12H8F2N2O2S
Molecular Weight282.27 g/mol
Exact Mass282.03
IUPAC Namemethyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C12H8F2N2O2S/c1-18-12(17)9-5-15-6-11(16-9)19-10-3-2-7(13)4-8(10)14/h2-6H,1H3
InChIKeyPOTQMLLKQFDWOQ-UHFFFAOYSA-N
XLogP2.69
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate 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

Methyl 3,6-bis[(4-fluorophenyl)sulfanyl]pyrazine-2-carboxylate
CID 68476744
6-Bromo-3-[(4-fluorophenyl)sulfanyl]pyrazine-2-carboxylic acid methyl ester
CID 86643719
3-Bromo-6-[(4-fluorophenyl)sulfanyl]pyrazine-2-carboxylic acid methyl ester
CID 86643720
6-Bromo-3-[(4-fluorophenyl)sulfanyl]pyrazine-2-carboxylic acid
CID 86643722
Methyl 5-(4-methylphenyl)sulfonylpyrazine-2-carboxylate
CID 102264521
3-(2-Fluorophenyl)sulfanylpyrazine-2-carboxylic acid
CID 55105763
3-(2,4-Difluorophenyl)sulfanylpyrazine-2-carboxylic acid
CID 55106239
3-(3,4-Difluorophenyl)sulfanylpyrazine-2-carboxylic acid
CID 62700948
3-(2,5-Difluorophenyl)sulfanylpyrazine-2-carboxylic acid
CID 62701446
3-(4-Fluorophenyl)sulfanylpyrazine-2-carboxylic acid
CID 62703289
5-(3,4-Difluorophenyl)sulfanylpyrazine-2-carboxylic acid
CID 64264746
5-(2,4-Difluorophenyl)sulfanylpyrazine-2-carboxylic acid
CID 64264747

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate (CID 66449006) is methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate is COC(=O)c1cncc(Sc2ccc(F)cc2F)n1.
What is the InChIKey of methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate?
The InChIKey is POTQMLLKQFDWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2S/c1-18-12(17)9-5-15-6-11(16-9)19-10-3-2-7(13)4-8(10)14/h2-6H,1H3.
What are the key properties of methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate?
methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate has a molecular weight of 282.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,4-difluorophenyl)sulfanylpyrazine-2-carboxylate is sourced from PubChem (CID 66449006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).