(3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite

C7H11IN2O — CID 139365150

IUPAC(3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite
SMILESCC(C)c1cc(COI)[nH]n1
InChIInChI=1S/C7H11IN2O/c1-5(2)7-3-6(4-11-8)9-10-7/h3,5H,4H2,1-2H3,(H,9,10)
InChIKeyOQIGSDMMBIGLJB-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.40
Rot. Bonds3

About (3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite

(3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite (PubChem CID 139365150) has the molecular formula C7H11IN2O and a molecular weight of 266.08 g/mol. Its IUPAC name is (3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite.

Molecular Properties

Compound Name(3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite
PubChem CID139365150
Molecular FormulaC7H11IN2O
Molecular Weight266.08 g/mol
Exact Mass265.99
IUPAC Name(3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite
SMILESCC(C)c1cc(COI)[nH]n1
InChIInChI=1S/C7H11IN2O/c1-5(2)7-3-6(4-11-8)9-10-7/h3,5H,4H2,1-2H3,(H,9,10)
InChIKeyOQIGSDMMBIGLJB-UHFFFAOYSA-N
XLogP2.40
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite?
The IUPAC name of (3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite (CID 139365150) is (3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite.
What is the SMILES notation for (3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite?
The canonical SMILES for (3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite is CC(C)c1cc(COI)[nH]n1.
What is the InChIKey of (3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite?
The InChIKey is OQIGSDMMBIGLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2O/c1-5(2)7-3-6(4-11-8)9-10-7/h3,5H,4H2,1-2H3,(H,9,10).
What are the key properties of (3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite?
(3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite has a molecular weight of 266.08 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite is sourced from PubChem (CID 139365150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).