2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine

C11H6ClF3N2OS — CID 171471267

IUPAC2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine
SMILESFC(F)(F)Oc1ccc(Sc2cnc(Cl)cn2)cc1
InChIInChI=1S/C11H6ClF3N2OS/c12-9-5-17-10(6-16-9)19-8-3-1-7(2-4-8)18-11(13,14)15/h1-6H
InChIKeyASVZJBMHYAPORB-UHFFFAOYSA-N
MW306.70 g/mol
LogP4.18
Rot. Bonds3

About 2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine

2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine (PubChem CID 171471267) has the molecular formula C11H6ClF3N2OS and a molecular weight of 306.70 g/mol. Its IUPAC name is 2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine.

Molecular Properties

Compound Name2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine
PubChem CID171471267
Molecular FormulaC11H6ClF3N2OS
Molecular Weight306.70 g/mol
Exact Mass305.98
IUPAC Name2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine
SMILESFC(F)(F)Oc1ccc(Sc2cnc(Cl)cn2)cc1
InChIInChI=1S/C11H6ClF3N2OS/c12-9-5-17-10(6-16-9)19-8-3-1-7(2-4-8)18-11(13,14)15/h1-6H
InChIKeyASVZJBMHYAPORB-UHFFFAOYSA-N
XLogP4.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine?
The IUPAC name of 2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine (CID 171471267) is 2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine.
What is the SMILES notation for 2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine?
The canonical SMILES for 2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine is FC(F)(F)Oc1ccc(Sc2cnc(Cl)cn2)cc1.
What is the InChIKey of 2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine?
The InChIKey is ASVZJBMHYAPORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2OS/c12-9-5-17-10(6-16-9)19-8-3-1-7(2-4-8)18-11(13,14)15/h1-6H.
What are the key properties of 2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine?
2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine has a molecular weight of 306.70 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazine is sourced from PubChem (CID 171471267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).