3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one

C7H7FINO — CID 170115895

IUPAC3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one
SMILESCCc1cc(F)c(I)[nH]c1=O
InChIInChI=1S/C7H7FINO/c1-2-4-3-5(8)6(9)10-7(4)11/h3H,2H2,1H3,(H,10,11)
InChIKeyYWPQSJWOBHAULD-UHFFFAOYSA-N
MW267.04 g/mol
LogP1.68
Rot. Bonds1

About 3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one

3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one (PubChem CID 170115895) has the molecular formula C7H7FINO and a molecular weight of 267.04 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one
PubChem CID170115895
Molecular FormulaC7H7FINO
Molecular Weight267.04 g/mol
Exact Mass266.96
IUPAC Name3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one
SMILESCCc1cc(F)c(I)[nH]c1=O
InChIInChI=1S/C7H7FINO/c1-2-4-3-5(8)6(9)10-7(4)11/h3H,2H2,1H3,(H,10,11)
InChIKeyYWPQSJWOBHAULD-UHFFFAOYSA-N
XLogP1.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.04
LogP ≤ 51.68
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-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one (CID 170115895) is 3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one is CCc1cc(F)c(I)[nH]c1=O.
What is the InChIKey of 3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one?
The InChIKey is YWPQSJWOBHAULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FINO/c1-2-4-3-5(8)6(9)10-7(4)11/h3H,2H2,1H3,(H,10,11).
What are the key properties of 3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one?
3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one has a molecular weight of 267.04 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one is sourced from PubChem (CID 170115895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).