(4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite

C8H6ClIN2S — CID 135278873

IUPAC(4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite
SMILESCc1cc(Cl)c2ccn(SI)c2n1
InChIInChI=1S/C8H6ClIN2S/c1-5-4-7(9)6-2-3-12(13-10)8(6)11-5/h2-4H,1H3
InChIKeyUTDHEONDFZBGJI-UHFFFAOYSA-N
MW324.57 g/mol
LogP3.84
Rot. Bonds1

About (4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite

(4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite (PubChem CID 135278873) has the molecular formula C8H6ClIN2S and a molecular weight of 324.57 g/mol. Its IUPAC name is (4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite.

Molecular Properties

Compound Name(4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite
PubChem CID135278873
Molecular FormulaC8H6ClIN2S
Molecular Weight324.57 g/mol
Exact Mass323.90
IUPAC Name(4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite
SMILESCc1cc(Cl)c2ccn(SI)c2n1
InChIInChI=1S/C8H6ClIN2S/c1-5-4-7(9)6-2-3-12(13-10)8(6)11-5/h2-4H,1H3
InChIKeyUTDHEONDFZBGJI-UHFFFAOYSA-N
XLogP3.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.57
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite?
The IUPAC name of (4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite (CID 135278873) is (4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite.
What is the SMILES notation for (4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite?
The canonical SMILES for (4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite is Cc1cc(Cl)c2ccn(SI)c2n1.
What is the InChIKey of (4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite?
The InChIKey is UTDHEONDFZBGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIN2S/c1-5-4-7(9)6-2-3-12(13-10)8(6)11-5/h2-4H,1H3.
What are the key properties of (4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite?
(4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite has a molecular weight of 324.57 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methylpyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite is sourced from PubChem (CID 135278873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).