3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one

C7H7FINO — CID 170115867

IUPAC3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(I)ccc1CCF
InChIInChI=1S/C7H7FINO/c8-4-3-5-1-2-6(9)10-7(5)11/h1-2H,3-4H2,(H,10,11)
InChIKeyLLZREVWCGVNZKW-UHFFFAOYSA-N
MW267.04 g/mol
LogP1.49
Rot. Bonds2

About 3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one

3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one (PubChem CID 170115867) has the molecular formula C7H7FINO and a molecular weight of 267.04 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one
PubChem CID170115867
Molecular FormulaC7H7FINO
Molecular Weight267.04 g/mol
Exact Mass266.96
IUPAC Name3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(I)ccc1CCF
InChIInChI=1S/C7H7FINO/c8-4-3-5-1-2-6(9)10-7(5)11/h1-2H,3-4H2,(H,10,11)
InChIKeyLLZREVWCGVNZKW-UHFFFAOYSA-N
XLogP1.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.04
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one?
The IUPAC name of 3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one (CID 170115867) is 3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one?
The canonical SMILES for 3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one is O=c1[nH]c(I)ccc1CCF.
What is the InChIKey of 3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one?
The InChIKey is LLZREVWCGVNZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FINO/c8-4-3-5-1-2-6(9)10-7(5)11/h1-2H,3-4H2,(H,10,11).
What are the key properties of 3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one?
3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one has a molecular weight of 267.04 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-6-iodo-1H-pyridin-2-one is sourced from PubChem (CID 170115867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).