[5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

C9H9BrFN3S — CID 146567905

IUPAC[5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCCNc1c(Br)cnc2c1ccn2SF
InChIInChI=1S/C9H9BrFN3S/c1-2-12-8-6-3-4-14(15-11)9(6)13-5-7(8)10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyFFTUZQOLRFJFQH-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.61
Rot. Bonds3

About [5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

[5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (PubChem CID 146567905) has the molecular formula C9H9BrFN3S and a molecular weight of 290.16 g/mol. Its IUPAC name is [5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
PubChem CID146567905
Molecular FormulaC9H9BrFN3S
Molecular Weight290.16 g/mol
Exact Mass288.97
IUPAC Name[5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCCNc1c(Br)cnc2c1ccn2SF
InChIInChI=1S/C9H9BrFN3S/c1-2-12-8-6-3-4-14(15-11)9(6)13-5-7(8)10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyFFTUZQOLRFJFQH-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The IUPAC name of [5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (CID 146567905) is [5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.
What is the SMILES notation for [5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The canonical SMILES for [5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is CCNc1c(Br)cnc2c1ccn2SF.
What is the InChIKey of [5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The InChIKey is FFTUZQOLRFJFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN3S/c1-2-12-8-6-3-4-14(15-11)9(6)13-5-7(8)10/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of [5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
[5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite has a molecular weight of 290.16 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is sourced from PubChem (CID 146567905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).