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

C6H3BrF2INO — CID 130110015

IUPAC6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(Br)cc(C(F)F)c1I
InChIInChI=1S/C6H3BrF2INO/c7-3-1-2(5(8)9)4(10)6(12)11-3/h1,5H,(H,11,12)
InChIKeyAKUPDAASOIUKJZ-UHFFFAOYSA-N
MW349.90 g/mol
LogP2.68
Rot. Bonds1

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

6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one (PubChem CID 130110015) has the molecular formula C6H3BrF2INO and a molecular weight of 349.90 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
PubChem CID130110015
Molecular FormulaC6H3BrF2INO
Molecular Weight349.90 g/mol
Exact Mass348.84
IUPAC Name6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(Br)cc(C(F)F)c1I
InChIInChI=1S/C6H3BrF2INO/c7-3-1-2(5(8)9)4(10)6(12)11-3/h1,5H,(H,11,12)
InChIKeyAKUPDAASOIUKJZ-UHFFFAOYSA-N
XLogP2.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 52.68
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'}

Analyze 6-bromo-4-(difluoromethyl)-3-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

Related Compounds

3-(aminomethyl)-6-bromo-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110189
4-(difluoromethyl)-6-(hydroxymethyl)-3-iodo-1H-pyridin-2-one
CID 118835424
4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-2-carboxamide
CID 118801169
3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130110034
5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110164
3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130109294
5-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082597
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
CID 130068357
3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one
CID 133093574
4-(bromomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082661
6-bromo-2-chloro-4-(difluoromethyl)-3-iodopyridine
CID 130107870

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
The IUPAC name of 6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one (CID 130110015) is 6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one is O=c1[nH]c(Br)cc(C(F)F)c1I.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
The InChIKey is AKUPDAASOIUKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2INO/c7-3-1-2(5(8)9)4(10)6(12)11-3/h1,5H,(H,11,12).
What are the key properties of 6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one has a molecular weight of 349.90 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one is sourced from PubChem (CID 130110015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).