6-chloro-2-iodo-3H-isoindol-1-one

C8H5ClINO — CID 130250910

IUPAC6-chloro-2-iodo-3H-isoindol-1-one
SMILESO=C1c2cc(Cl)ccc2CN1I
InChIInChI=1S/C8H5ClINO/c9-6-2-1-5-4-11(10)8(12)7(5)3-6/h1-3H,4H2
InChIKeyOJZWLIQDTAOEHR-UHFFFAOYSA-N
MW293.49 g/mol
LogP2.65
Rot. Bonds

About 6-chloro-2-iodo-3H-isoindol-1-one

6-chloro-2-iodo-3H-isoindol-1-one (PubChem CID 130250910) has the molecular formula C8H5ClINO and a molecular weight of 293.49 g/mol. Its IUPAC name is 6-chloro-2-iodo-3H-isoindol-1-one.

Molecular Properties

Compound Name6-chloro-2-iodo-3H-isoindol-1-one
PubChem CID130250910
Molecular FormulaC8H5ClINO
Molecular Weight293.49 g/mol
Exact Mass292.91
IUPAC Name6-chloro-2-iodo-3H-isoindol-1-one
SMILESO=C1c2cc(Cl)ccc2CN1I
InChIInChI=1S/C8H5ClINO/c9-6-2-1-5-4-11(10)8(12)7(5)3-6/h1-3H,4H2
InChIKeyOJZWLIQDTAOEHR-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-iodo-3H-isoindol-1-one?
The IUPAC name of 6-chloro-2-iodo-3H-isoindol-1-one (CID 130250910) is 6-chloro-2-iodo-3H-isoindol-1-one.
What is the SMILES notation for 6-chloro-2-iodo-3H-isoindol-1-one?
The canonical SMILES for 6-chloro-2-iodo-3H-isoindol-1-one is O=C1c2cc(Cl)ccc2CN1I.
What is the InChIKey of 6-chloro-2-iodo-3H-isoindol-1-one?
The InChIKey is OJZWLIQDTAOEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClINO/c9-6-2-1-5-4-11(10)8(12)7(5)3-6/h1-3H,4H2.
What are the key properties of 6-chloro-2-iodo-3H-isoindol-1-one?
6-chloro-2-iodo-3H-isoindol-1-one has a molecular weight of 293.49 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-iodo-3H-isoindol-1-one is sourced from PubChem (CID 130250910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).