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

C6H3ClFN3S — CID 164861060

IUPAC(3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
SMILESFSn1ccc2ncc(Cl)nc21
InChIInChI=1S/C6H3ClFN3S/c7-5-3-9-4-1-2-11(12-8)6(4)10-5/h1-3H
InChIKeyAYMULOMGCKUKPF-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.47
Rot. Bonds1

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

(3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite (PubChem CID 164861060) has the molecular formula C6H3ClFN3S and a molecular weight of 203.63 g/mol. Its IUPAC name is (3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite.

Molecular Properties

Compound Name(3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
PubChem CID164861060
Molecular FormulaC6H3ClFN3S
Molecular Weight203.63 g/mol
Exact Mass202.97
IUPAC Name(3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
SMILESFSn1ccc2ncc(Cl)nc21
InChIInChI=1S/C6H3ClFN3S/c7-5-3-9-4-1-2-11(12-8)6(4)10-5/h1-3H
InChIKeyAYMULOMGCKUKPF-UHFFFAOYSA-N
XLogP2.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The IUPAC name of (3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite (CID 164861060) is (3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite.
What is the SMILES notation for (3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The canonical SMILES for (3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite is FSn1ccc2ncc(Cl)nc21.
What is the InChIKey of (3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The InChIKey is AYMULOMGCKUKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFN3S/c7-5-3-9-4-1-2-11(12-8)6(4)10-5/h1-3H.
What are the key properties of (3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
(3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite has a molecular weight of 203.63 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite is sourced from PubChem (CID 164861060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).