6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one

C5H2ClFINO — CID 178200375

IUPAC6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one
SMILESO=c1cc(Cl)[nH]c(I)c1F
InChIInChI=1S/C5H2ClFINO/c6-3-1-2(10)4(7)5(8)9-3/h1H,(H,9,10)
InChIKeyGKRYJWOUCMMARI-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.77
Rot. Bonds

About 6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one

6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one (PubChem CID 178200375) has the molecular formula C5H2ClFINO and a molecular weight of 273.43 g/mol. Its IUPAC name is 6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one.

Molecular Properties

Compound Name6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one
PubChem CID178200375
Molecular FormulaC5H2ClFINO
Molecular Weight273.43 g/mol
Exact Mass272.89
IUPAC Name6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one
SMILESO=c1cc(Cl)[nH]c(I)c1F
InChIInChI=1S/C5H2ClFINO/c6-3-1-2(10)4(7)5(8)9-3/h1H,(H,9,10)
InChIKeyGKRYJWOUCMMARI-UHFFFAOYSA-N
XLogP1.77
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.77
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 6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one?
The IUPAC name of 6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one (CID 178200375) is 6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one.
What is the SMILES notation for 6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one?
The canonical SMILES for 6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one is O=c1cc(Cl)[nH]c(I)c1F.
What is the InChIKey of 6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one?
The InChIKey is GKRYJWOUCMMARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClFINO/c6-3-1-2(10)4(7)5(8)9-3/h1H,(H,9,10).
What are the key properties of 6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one?
6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one has a molecular weight of 273.43 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one is sourced from PubChem (CID 178200375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).