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

C9H7IN2OS — CID 153343697

IUPAC(2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite
SMILESCc1cnc2cc(C=O)n(SI)c2c1
InChIInChI=1S/C9H7IN2OS/c1-6-2-9-8(11-4-6)3-7(5-13)12(9)14-10/h2-5H,1H3
InChIKeyHDRXLTKPVQBWIU-UHFFFAOYSA-N
MW318.14 g/mol
LogP3.00
Rot. Bonds2

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

(2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite (PubChem CID 153343697) has the molecular formula C9H7IN2OS and a molecular weight of 318.14 g/mol. Its IUPAC name is (2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite.

Molecular Properties

Compound Name(2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite
PubChem CID153343697
Molecular FormulaC9H7IN2OS
Molecular Weight318.14 g/mol
Exact Mass317.93
IUPAC Name(2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite
SMILESCc1cnc2cc(C=O)n(SI)c2c1
InChIInChI=1S/C9H7IN2OS/c1-6-2-9-8(11-4-6)3-7(5-13)12(9)14-10/h2-5H,1H3
InChIKeyHDRXLTKPVQBWIU-UHFFFAOYSA-N
XLogP3.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 12789144
CID 12789144
CID 26076393
CID 26076393
CID 17957942
CID 17957942
CID 22281739
CID 22281739
CID 73012828
CID 73012828
CID 73012918
CID 73012918
CID 84651026
CID 84651026
CID 95790554
CID 95790554
CID 162665543
CID 162665543
CID 818143
CID 818143
CID 84649086
CID 84649086
CID 105443050
CID 105443050

Frequently Asked Questions

What is the IUPAC name of (2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite?
The IUPAC name of (2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite (CID 153343697) is (2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite.
What is the SMILES notation for (2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite?
The canonical SMILES for (2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite is Cc1cnc2cc(C=O)n(SI)c2c1.
What is the InChIKey of (2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite?
The InChIKey is HDRXLTKPVQBWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2OS/c1-6-2-9-8(11-4-6)3-7(5-13)12(9)14-10/h2-5H,1H3.
What are the key properties of (2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite?
(2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite has a molecular weight of 318.14 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypoiodite is sourced from PubChem (CID 153343697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).