5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one

C7H5BrF2INO — CID 130082637

IUPAC5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one
SMILESO=c1cc(I)c(CBr)c(C(F)F)[nH]1
InChIInChI=1S/C7H5BrF2INO/c8-2-3-4(11)1-5(13)12-6(3)7(9)10/h1,7H,2H2,(H,12,13)
InChIKeyQGTCDEJGDITZPC-UHFFFAOYSA-N
MW363.93 g/mol
LogP2.81
Rot. Bonds2

About 5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one

5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one (PubChem CID 130082637) has the molecular formula C7H5BrF2INO and a molecular weight of 363.93 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one
PubChem CID130082637
Molecular FormulaC7H5BrF2INO
Molecular Weight363.93 g/mol
Exact Mass362.86
IUPAC Name5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one
SMILESO=c1cc(I)c(CBr)c(C(F)F)[nH]1
InChIInChI=1S/C7H5BrF2INO/c8-2-3-4(11)1-5(13)12-6(3)7(9)10/h1,7H,2H2,(H,12,13)
InChIKeyQGTCDEJGDITZPC-UHFFFAOYSA-N
XLogP2.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 52.81
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'}

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Related Compounds

6-(difluoromethyl)-5-fluoro-4-iodo-1H-pyridin-2-one
CID 118826088
2-[4-(bromomethyl)-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130085027
4-(aminomethyl)-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082600
6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118854377
6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 118825976
5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130100163
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 118803664
3-(bromomethyl)-2-(difluoromethyl)-6-nitro-1H-pyridin-4-one
CID 130084252
6-(difluoromethyl)-3-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 130082788
5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101695
4,5-dichloro-6-(difluoromethyl)-1H-pyridin-2-one
CID 130099225
4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130079392

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
The IUPAC name of 5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one (CID 130082637) is 5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one.
What is the SMILES notation for 5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
The canonical SMILES for 5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one is O=c1cc(I)c(CBr)c(C(F)F)[nH]1.
What is the InChIKey of 5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
The InChIKey is QGTCDEJGDITZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2INO/c8-2-3-4(11)1-5(13)12-6(3)7(9)10/h1,7H,2H2,(H,12,13).
What are the key properties of 5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one?
5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one has a molecular weight of 363.93 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one is sourced from PubChem (CID 130082637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).