6-chloro-8-iodochromen-2-one

C9H4ClIO2 — CID 22608626

IUPAC6-chloro-8-iodochromen-2-one
SMILESO=c1ccc2cc(Cl)cc(I)c2o1
InChIInChI=1S/C9H4ClIO2/c10-6-3-5-1-2-8(12)13-9(5)7(11)4-6/h1-4H
InChIKeyQIYDOYNZBNLOCB-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.05
Rot. Bonds

About 6-chloro-8-iodochromen-2-one

6-chloro-8-iodochromen-2-one (PubChem CID 22608626) has the molecular formula C9H4ClIO2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 6-chloro-8-iodochromen-2-one.

Molecular Properties

Compound Name6-chloro-8-iodochromen-2-one
PubChem CID22608626
Molecular FormulaC9H4ClIO2
Molecular Weight306.49 g/mol
Exact Mass305.89
IUPAC Name6-chloro-8-iodochromen-2-one
SMILESO=c1ccc2cc(Cl)cc(I)c2o1
InChIInChI=1S/C9H4ClIO2/c10-6-3-5-1-2-8(12)13-9(5)7(11)4-6/h1-4H
InChIKeyQIYDOYNZBNLOCB-UHFFFAOYSA-N
XLogP3.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-iodochromen-2-one?
The IUPAC name of 6-chloro-8-iodochromen-2-one (CID 22608626) is 6-chloro-8-iodochromen-2-one.
What is the SMILES notation for 6-chloro-8-iodochromen-2-one?
The canonical SMILES for 6-chloro-8-iodochromen-2-one is O=c1ccc2cc(Cl)cc(I)c2o1.
What is the InChIKey of 6-chloro-8-iodochromen-2-one?
The InChIKey is QIYDOYNZBNLOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClIO2/c10-6-3-5-1-2-8(12)13-9(5)7(11)4-6/h1-4H.
What are the key properties of 6-chloro-8-iodochromen-2-one?
6-chloro-8-iodochromen-2-one has a molecular weight of 306.49 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-iodochromen-2-one is sourced from PubChem (CID 22608626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).