[methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite

C9H10IN2PS — CID 143712701

IUPAC[methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite
SMILESCc1cn(P(C)SI)c2ncccc12
InChIInChI=1S/C9H10IN2PS/c1-7-6-12(13(2)14-10)9-8(7)4-3-5-11-9/h3-6H,1-2H3
InChIKeyMKBYCALDXOFBLZ-UHFFFAOYSA-N
MW336.14 g/mol
LogP4.22
Rot. Bonds2

About [methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite

[methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite (PubChem CID 143712701) has the molecular formula C9H10IN2PS and a molecular weight of 336.14 g/mol. Its IUPAC name is [methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite.

Molecular Properties

Compound Name[methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite
PubChem CID143712701
Molecular FormulaC9H10IN2PS
Molecular Weight336.14 g/mol
Exact Mass335.93
IUPAC Name[methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite
SMILESCc1cn(P(C)SI)c2ncccc12
InChIInChI=1S/C9H10IN2PS/c1-7-6-12(13(2)14-10)9-8(7)4-3-5-11-9/h3-6H,1-2H3
InChIKeyMKBYCALDXOFBLZ-UHFFFAOYSA-N
XLogP4.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine
CID 102389456
2-(3-methylpyrrolo[2,3-b]pyridin-1-yl)-N,N-bis[2-(3-methylpyrrolo[2,3-b]pyridin-1-yl)ethyl]ethanamine
CID 11843178
1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine
CID 154231844
3-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 153487723
3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine
CID 70903217
1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine
CID 11843026
3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
CID 11843029
3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 11843028
9-methylpyrido[2,3-b]indole
CID 12596580
2-methyl-1-oxidopyrrolo[2,3-b]pyridine
CID 142719673
5,7,9-trimethylpyrido[2,3-b]indole
CID 20672284
1-chloro-3-iodopyrrolo[2,3-b]pyridine
CID 141210640

Frequently Asked Questions

What is the IUPAC name of [methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite?
The IUPAC name of [methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite (CID 143712701) is [methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite.
What is the SMILES notation for [methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite?
The canonical SMILES for [methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite is Cc1cn(P(C)SI)c2ncccc12.
What is the InChIKey of [methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite?
The InChIKey is MKBYCALDXOFBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN2PS/c1-7-6-12(13(2)14-10)9-8(7)4-3-5-11-9/h3-6H,1-2H3.
What are the key properties of [methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite?
[methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite has a molecular weight of 336.14 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite is sourced from PubChem (CID 143712701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).