6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine

C10H7F2N3OS — CID 141176293

IUPAC6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine
SMILESNc1cncc(S(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H7F2N3OS/c11-7-2-1-6(3-8(7)12)17(16)10-5-14-4-9(13)15-10/h1-5H,(H2,13,15)
InChIKeyYJKFXKNMNYRRFO-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.50
Rot. Bonds2

About 6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine

6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine (PubChem CID 141176293) has the molecular formula C10H7F2N3OS and a molecular weight of 255.25 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine
PubChem CID141176293
Molecular FormulaC10H7F2N3OS
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine
SMILESNc1cncc(S(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H7F2N3OS/c11-7-2-1-6(3-8(7)12)17(16)10-5-14-4-9(13)15-10/h1-5H,(H2,13,15)
InChIKeyYJKFXKNMNYRRFO-UHFFFAOYSA-N
XLogP1.50
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 172433486
CID 172433486
CID 10444969
CID 10444969
CID 22772892
CID 22772892
CID 43616158
CID 43616158
CID 67234341
CID 67234341
CID 89475061
CID 89475061
CID 171485942
CID 171485942
CID 15081812
CID 15081812
CID 22772890
CID 22772890
CID 22772893
CID 22772893
CID 43616159
CID 43616159
CID 65562589
CID 65562589

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine?
The IUPAC name of 6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine (CID 141176293) is 6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine is Nc1cncc(S(=O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine?
The InChIKey is YJKFXKNMNYRRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3OS/c11-7-2-1-6(3-8(7)12)17(16)10-5-14-4-9(13)15-10/h1-5H,(H2,13,15).
What are the key properties of 6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine?
6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine has a molecular weight of 255.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)sulfinylpyrazin-2-amine is sourced from PubChem (CID 141176293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).