3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one

C7H5ClF2INO — CID 130082713

IUPAC3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)cc(I)c1CCl
InChIInChI=1S/C7H5ClF2INO/c8-2-3-4(11)1-5(6(9)10)12-7(3)13/h1,6H,2H2,(H,12,13)
InChIKeyBTJMYDLVWAIXGO-UHFFFAOYSA-N
MW319.48 g/mol
LogP2.66
Rot. Bonds2

About 3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one

3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one (PubChem CID 130082713) has the molecular formula C7H5ClF2INO and a molecular weight of 319.48 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one
PubChem CID130082713
Molecular FormulaC7H5ClF2INO
Molecular Weight319.48 g/mol
Exact Mass318.91
IUPAC Name3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)cc(I)c1CCl
InChIInChI=1S/C7H5ClF2INO/c8-2-3-4(11)1-5(6(9)10)12-7(3)13/h1,6H,2H2,(H,12,13)
InChIKeyBTJMYDLVWAIXGO-UHFFFAOYSA-N
XLogP2.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
The IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one (CID 130082713) is 3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one is O=c1[nH]c(C(F)F)cc(I)c1CCl.
What is the InChIKey of 3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
The InChIKey is BTJMYDLVWAIXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO/c8-2-3-4(11)1-5(6(9)10)12-7(3)13/h1,6H,2H2,(H,12,13).
What are the key properties of 3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one has a molecular weight of 319.48 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one is sourced from PubChem (CID 130082713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).