(7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite

C6H3BrFN3S — CID 145235888

IUPAC(7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
SMILESFSn1cc(Br)c2nccnc21
InChIInChI=1S/C6H3BrFN3S/c7-4-3-11(12-8)6-5(4)9-1-2-10-6/h1-3H
InChIKeyPXKGQJSIUGVFEH-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.57
Rot. Bonds1

About (7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite

(7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite (PubChem CID 145235888) has the molecular formula C6H3BrFN3S and a molecular weight of 248.08 g/mol. Its IUPAC name is (7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite.

Molecular Properties

Compound Name(7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
PubChem CID145235888
Molecular FormulaC6H3BrFN3S
Molecular Weight248.08 g/mol
Exact Mass246.92
IUPAC Name(7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
SMILESFSn1cc(Br)c2nccnc21
InChIInChI=1S/C6H3BrFN3S/c7-4-3-11(12-8)6-5(4)9-1-2-10-6/h1-3H
InChIKeyPXKGQJSIUGVFEH-UHFFFAOYSA-N
XLogP2.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The IUPAC name of (7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite (CID 145235888) is (7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite.
What is the SMILES notation for (7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The canonical SMILES for (7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite is FSn1cc(Br)c2nccnc21.
What is the InChIKey of (7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The InChIKey is PXKGQJSIUGVFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFN3S/c7-4-3-11(12-8)6-5(4)9-1-2-10-6/h1-3H.
What are the key properties of (7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
(7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite has a molecular weight of 248.08 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite is sourced from PubChem (CID 145235888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).