2-chloro-3,5-diiodo-1H-pyridin-4-one

C5H2ClI2NO — CID 135303894

IUPAC2-chloro-3,5-diiodo-1H-pyridin-4-one
SMILESO=c1c(I)c[nH]c(Cl)c1I
InChIInChI=1S/C5H2ClI2NO/c6-5-3(8)4(10)2(7)1-9-5/h1H,(H,9,10)
InChIKeyDPHOWLYOBWCRKU-UHFFFAOYSA-N
MW381.34 g/mol
LogP2.24
Rot. Bonds

About 2-chloro-3,5-diiodo-1H-pyridin-4-one

2-chloro-3,5-diiodo-1H-pyridin-4-one (PubChem CID 135303894) has the molecular formula C5H2ClI2NO and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-chloro-3,5-diiodo-1H-pyridin-4-one.

Molecular Properties

Compound Name2-chloro-3,5-diiodo-1H-pyridin-4-one
PubChem CID135303894
Molecular FormulaC5H2ClI2NO
Molecular Weight381.34 g/mol
Exact Mass380.79
IUPAC Name2-chloro-3,5-diiodo-1H-pyridin-4-one
SMILESO=c1c(I)c[nH]c(Cl)c1I
InChIInChI=1S/C5H2ClI2NO/c6-5-3(8)4(10)2(7)1-9-5/h1H,(H,9,10)
InChIKeyDPHOWLYOBWCRKU-UHFFFAOYSA-N
XLogP2.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.24
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 2-chloro-3,5-diiodo-1H-pyridin-4-one?
The IUPAC name of 2-chloro-3,5-diiodo-1H-pyridin-4-one (CID 135303894) is 2-chloro-3,5-diiodo-1H-pyridin-4-one.
What is the SMILES notation for 2-chloro-3,5-diiodo-1H-pyridin-4-one?
The canonical SMILES for 2-chloro-3,5-diiodo-1H-pyridin-4-one is O=c1c(I)c[nH]c(Cl)c1I.
What is the InChIKey of 2-chloro-3,5-diiodo-1H-pyridin-4-one?
The InChIKey is DPHOWLYOBWCRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClI2NO/c6-5-3(8)4(10)2(7)1-9-5/h1H,(H,9,10).
What are the key properties of 2-chloro-3,5-diiodo-1H-pyridin-4-one?
2-chloro-3,5-diiodo-1H-pyridin-4-one has a molecular weight of 381.34 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5-diiodo-1H-pyridin-4-one is sourced from PubChem (CID 135303894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).