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

C6H3BrFN3S — CID 143854097

IUPAC(2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
SMILESFSn1ccc2nc(Br)cnc21
InChIInChI=1S/C6H3BrFN3S/c7-5-3-9-6-4(10-5)1-2-11(6)12-8/h1-3H
InChIKeyLDPFVPXGFANFBB-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.57
Rot. Bonds1

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

(2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite (PubChem CID 143854097) has the molecular formula C6H3BrFN3S and a molecular weight of 248.08 g/mol. Its IUPAC name is (2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite.

Molecular Properties

Compound Name(2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
PubChem CID143854097
Molecular FormulaC6H3BrFN3S
Molecular Weight248.08 g/mol
Exact Mass246.92
IUPAC Name(2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
SMILESFSn1ccc2nc(Br)cnc21
InChIInChI=1S/C6H3BrFN3S/c7-5-3-9-6-4(10-5)1-2-11(6)12-8/h1-3H
InChIKeyLDPFVPXGFANFBB-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 (2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The IUPAC name of (2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite (CID 143854097) is (2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite.
What is the SMILES notation for (2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The canonical SMILES for (2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite is FSn1ccc2nc(Br)cnc21.
What is the InChIKey of (2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The InChIKey is LDPFVPXGFANFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFN3S/c7-5-3-9-6-4(10-5)1-2-11(6)12-8/h1-3H.
What are the key properties of (2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
(2-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 (2-bromopyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite is sourced from PubChem (CID 143854097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).