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

C7H5BrF2INO — CID 130082613

IUPAC2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one
SMILESO=c1c(I)c[nH]c(CBr)c1C(F)F
InChIInChI=1S/C7H5BrF2INO/c8-1-4-5(7(9)10)6(13)3(11)2-12-4/h2,7H,1H2,(H,12,13)
InChIKeyYCASWBWQCGPIOU-UHFFFAOYSA-N
MW363.93 g/mol
LogP2.81
Rot. Bonds2

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

2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one (PubChem CID 130082613) has the molecular formula C7H5BrF2INO and a molecular weight of 363.93 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one
PubChem CID130082613
Molecular FormulaC7H5BrF2INO
Molecular Weight363.93 g/mol
Exact Mass362.86
IUPAC Name2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one
SMILESO=c1c(I)c[nH]c(CBr)c1C(F)F
InChIInChI=1S/C7H5BrF2INO/c8-1-4-5(7(9)10)6(13)3(11)2-12-4/h2,7H,1H2,(H,12,13)
InChIKeyYCASWBWQCGPIOU-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

5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one
CID 130110232
2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130079409
3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
CID 130082730
2-[5-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084750
3-(difluoromethyl)-2-(hydroxymethyl)-5-methyl-1H-pyridin-4-one
CID 130083878
3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082587
2-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 130085038
4-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-sulfonamide
CID 118851891
3-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082829
2-(aminomethyl)-3-(difluoromethyl)-5-nitro-1H-pyridin-4-one
CID 118803016
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 118835502
4-amino-6-(bromomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104697

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one?
The IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one (CID 130082613) is 2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one.
What is the SMILES notation for 2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one?
The canonical SMILES for 2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one is O=c1c(I)c[nH]c(CBr)c1C(F)F.
What is the InChIKey of 2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one?
The InChIKey is YCASWBWQCGPIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2INO/c8-1-4-5(7(9)10)6(13)3(11)2-12-4/h2,7H,1H2,(H,12,13).
What are the key properties of 2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one?
2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-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 2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one is sourced from PubChem (CID 130082613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).