3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one

C6H3BrF2INO — CID 130110034

IUPAC3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(I)c1Br
InChIInChI=1S/C6H3BrF2INO/c7-3-4(10)2(5(8)9)1-11-6(3)12/h1,5H,(H,11,12)
InChIKeyMFLZIJXLIGMIJL-UHFFFAOYSA-N
MW349.90 g/mol
LogP2.68
Rot. Bonds1

About 3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one

3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one (PubChem CID 130110034) has the molecular formula C6H3BrF2INO and a molecular weight of 349.90 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one
PubChem CID130110034
Molecular FormulaC6H3BrF2INO
Molecular Weight349.90 g/mol
Exact Mass348.84
IUPAC Name3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(I)c1Br
InChIInChI=1S/C6H3BrF2INO/c7-3-4(10)2(5(8)9)1-11-6(3)12/h1,5H,(H,11,12)
InChIKeyMFLZIJXLIGMIJL-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130110070
4-(bromomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082661
5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide
CID 130083110
5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one
CID 130082742
4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118839882
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130110015
methyl 2-[5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridin-4-yl]acetate
CID 133103603
3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
CID 130079387
3-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130110437
5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
CID 130082731

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one (CID 130110034) is 3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one is O=c1[nH]cc(C(F)F)c(I)c1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
The InChIKey is MFLZIJXLIGMIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2INO/c7-3-4(10)2(5(8)9)1-11-6(3)12/h1,5H,(H,11,12).
What are the key properties of 3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
3-bromo-5-(difluoromethyl)-4-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 3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one is sourced from PubChem (CID 130110034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).