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

C11H9ClIN3OS — CID 138572263

IUPAC[4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
SMILESO=C(Nc1cc(Cl)c2ccn(SI)c2n1)C1CC1
InChIInChI=1S/C11H9ClIN3OS/c12-8-5-9(15-11(17)6-1-2-6)14-10-7(8)3-4-16(10)18-13/h3-6H,1-2H2,(H,14,15,17)
InChIKeyUIVULQSJPFNLQE-UHFFFAOYSA-N
MW393.64 g/mol
LogP3.88
Rot. Bonds3

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

[4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite (PubChem CID 138572263) has the molecular formula C11H9ClIN3OS and a molecular weight of 393.64 g/mol. Its IUPAC name is [4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite.

Molecular Properties

Compound Name[4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
PubChem CID138572263
Molecular FormulaC11H9ClIN3OS
Molecular Weight393.64 g/mol
Exact Mass392.92
IUPAC Name[4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
SMILESO=C(Nc1cc(Cl)c2ccn(SI)c2n1)C1CC1
InChIInChI=1S/C11H9ClIN3OS/c12-8-5-9(15-11(17)6-1-2-6)14-10-7(8)3-4-16(10)18-13/h3-6H,1-2H2,(H,14,15,17)
InChIKeyUIVULQSJPFNLQE-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.64
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
CID 165132565
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid
CID 171437028
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19345252
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide
CID 177346635
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113050746
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
N-[7-(4-cyclopropyl-2-methylsulfanylanilino)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334747

Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite?
The IUPAC name of [4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite (CID 138572263) is [4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite.
What is the SMILES notation for [4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite?
The canonical SMILES for [4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite is O=C(Nc1cc(Cl)c2ccn(SI)c2n1)C1CC1.
What is the InChIKey of [4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite?
The InChIKey is UIVULQSJPFNLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClIN3OS/c12-8-5-9(15-11(17)6-1-2-6)14-10-7(8)3-4-16(10)18-13/h3-6H,1-2H2,(H,14,15,17).
What are the key properties of [4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite?
[4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite has a molecular weight of 393.64 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-(cyclopropanecarbonylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite is sourced from PubChem (CID 138572263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).