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

C7H5BrF2INO — CID 118835502

IUPAC4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(I)cc(CBr)c1C(F)F
InChIInChI=1S/C7H5BrF2INO/c8-2-3-1-4(11)12-7(13)5(3)6(9)10/h1,6H,2H2,(H,12,13)
InChIKeyHNKRYMCNYGFUEP-UHFFFAOYSA-N
MW363.93 g/mol
LogP2.81
Rot. Bonds2

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

4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one (PubChem CID 118835502) has the molecular formula C7H5BrF2INO and a molecular weight of 363.93 g/mol. Its IUPAC name is 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
PubChem CID118835502
Molecular FormulaC7H5BrF2INO
Molecular Weight363.93 g/mol
Exact Mass362.86
IUPAC Name4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(I)cc(CBr)c1C(F)F
InChIInChI=1S/C7H5BrF2INO/c8-2-3-1-4(11)12-7(13)5(3)6(9)10/h1,6H,2H2,(H,12,13)
InChIKeyHNKRYMCNYGFUEP-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082602
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130084707
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082831
6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
CID 130100155
2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118807000
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
6-(aminomethyl)-3-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130082578
2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
CID 118819770
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 130085591
methyl 2-[5-(difluoromethyl)-4-iodo-6-oxo-1H-pyridin-2-yl]acetate
CID 133103677
5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130082637
3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one
CID 130082494

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one?
The IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one (CID 118835502) is 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one.
What is the SMILES notation for 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one?
The canonical SMILES for 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one is O=c1[nH]c(I)cc(CBr)c1C(F)F.
What is the InChIKey of 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one?
The InChIKey is HNKRYMCNYGFUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2INO/c8-2-3-1-4(11)12-7(13)5(3)6(9)10/h1,6H,2H2,(H,12,13).
What are the key properties of 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one?
4-(bromomethyl)-3-(difluoromethyl)-6-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 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one is sourced from PubChem (CID 118835502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).