[(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite

C9H11IN2O — CID 154930420

IUPAC[(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite
SMILESCC(C)c1cnccc1/C=N/OI
InChIInChI=1S/C9H11IN2O/c1-7(2)9-6-11-4-3-8(9)5-12-13-10/h3-7H,1-2H3/b12-5+
InChIKeyZZPZSNQORLWPLC-LFYBBSHMSA-N
MW290.10 g/mol
LogP2.91
Rot. Bonds3

About [(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite

[(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite (PubChem CID 154930420) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is [(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite.

Molecular Properties

Compound Name[(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite
PubChem CID154930420
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name[(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite
SMILESCC(C)c1cnccc1/C=N/OI
InChIInChI=1S/C9H11IN2O/c1-7(2)9-6-11-4-3-8(9)5-12-13-10/h3-7H,1-2H3/b12-5+
InChIKeyZZPZSNQORLWPLC-LFYBBSHMSA-N
XLogP2.91
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite?
The IUPAC name of [(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite (CID 154930420) is [(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite.
What is the SMILES notation for [(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite?
The canonical SMILES for [(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite is CC(C)c1cnccc1/C=N/OI.
What is the InChIKey of [(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite?
The InChIKey is ZZPZSNQORLWPLC-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H11IN2O/c1-7(2)9-6-11-4-3-8(9)5-12-13-10/h3-7H,1-2H3/b12-5+.
What are the key properties of [(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite?
[(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite has a molecular weight of 290.10 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite is sourced from PubChem (CID 154930420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).