6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one

C8H8ClF2NO2 — CID 118849612

IUPAC6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CO)c(CCl)[nH]1
InChIInChI=1S/C8H8ClF2NO2/c9-2-6-5(3-13)4(8(10)11)1-7(14)12-6/h1,8,13H,2-3H2,(H,12,14)
InChIKeyDSCLAATVUOBGGK-UHFFFAOYSA-N
MW223.61 g/mol
LogP1.54
Rot. Bonds3

About 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one

6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 118849612) has the molecular formula C8H8ClF2NO2 and a molecular weight of 223.61 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID118849612
Molecular FormulaC8H8ClF2NO2
Molecular Weight223.61 g/mol
Exact Mass223.02
IUPAC Name6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CO)c(CCl)[nH]1
InChIInChI=1S/C8H8ClF2NO2/c9-2-6-5(3-13)4(8(10)11)1-7(14)12-6/h1,8,13H,2-3H2,(H,12,14)
InChIKeyDSCLAATVUOBGGK-UHFFFAOYSA-N
XLogP1.54
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 119016905
5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110248
2-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118825861
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773
4-bromo-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130110266
5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130100163
4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
CID 118812463
2-[6-(chloromethyl)-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118821536
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085139
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130072565
3-(chloromethyl)-5-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085159
6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118854377

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (CID 118849612) is 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is O=c1cc(C(F)F)c(CO)c(CCl)[nH]1.
What is the InChIKey of 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is DSCLAATVUOBGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO2/c9-2-6-5(3-13)4(8(10)11)1-7(14)12-6/h1,8,13H,2-3H2,(H,12,14).
What are the key properties of 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 223.61 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118849612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).