8-hydroxy-3-iodo-1H-quinolin-2-one

C9H6INO2 — CID 91200284

IUPAC8-hydroxy-3-iodo-1H-quinolin-2-one
SMILESO=c1[nH]c2c(O)cccc2cc1I
InChIInChI=1S/C9H6INO2/c10-6-4-5-2-1-3-7(12)8(5)11-9(6)13/h1-4,12H,(H,11,13)
InChIKeyHQHLSAWDAQUMBL-UHFFFAOYSA-N
MW287.06 g/mol
LogP1.84
Rot. Bonds

About 8-hydroxy-3-iodo-1H-quinolin-2-one

8-hydroxy-3-iodo-1H-quinolin-2-one (PubChem CID 91200284) has the molecular formula C9H6INO2 and a molecular weight of 287.06 g/mol. Its IUPAC name is 8-hydroxy-3-iodo-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-3-iodo-1H-quinolin-2-one
PubChem CID91200284
Molecular FormulaC9H6INO2
Molecular Weight287.06 g/mol
Exact Mass286.94
IUPAC Name8-hydroxy-3-iodo-1H-quinolin-2-one
SMILESO=c1[nH]c2c(O)cccc2cc1I
InChIInChI=1S/C9H6INO2/c10-6-4-5-2-1-3-7(12)8(5)11-9(6)13/h1-4,12H,(H,11,13)
InChIKeyHQHLSAWDAQUMBL-UHFFFAOYSA-N
XLogP1.84
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 51.84
H-Bond Donors ≤ 52
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 8-hydroxy-3-iodo-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-3-iodo-1H-quinolin-2-one (CID 91200284) is 8-hydroxy-3-iodo-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-3-iodo-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-3-iodo-1H-quinolin-2-one is O=c1[nH]c2c(O)cccc2cc1I.
What is the InChIKey of 8-hydroxy-3-iodo-1H-quinolin-2-one?
The InChIKey is HQHLSAWDAQUMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO2/c10-6-4-5-2-1-3-7(12)8(5)11-9(6)13/h1-4,12H,(H,11,13).
What are the key properties of 8-hydroxy-3-iodo-1H-quinolin-2-one?
8-hydroxy-3-iodo-1H-quinolin-2-one has a molecular weight of 287.06 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-iodo-1H-quinolin-2-one is sourced from PubChem (CID 91200284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).