4-(chloromethyl)-5-fluoro-1H-pyridin-2-one

C6H5ClFNO — CID 118990056

IUPAC4-(chloromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1cc(CCl)c(F)c[nH]1
InChIInChI=1S/C6H5ClFNO/c7-2-4-1-6(10)9-3-5(4)8/h1,3H,2H2,(H,9,10)
InChIKeyHAHKCYCAJDIATI-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.25
Rot. Bonds1

About 4-(chloromethyl)-5-fluoro-1H-pyridin-2-one

4-(chloromethyl)-5-fluoro-1H-pyridin-2-one (PubChem CID 118990056) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is 4-(chloromethyl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-5-fluoro-1H-pyridin-2-one
PubChem CID118990056
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name4-(chloromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1cc(CCl)c(F)c[nH]1
InChIInChI=1S/C6H5ClFNO/c7-2-4-1-6(10)9-3-5(4)8/h1,3H,2H2,(H,9,10)
InChIKeyHAHKCYCAJDIATI-UHFFFAOYSA-N
XLogP1.25
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-(chloromethyl)-5-fluoro-1H-pyridin-2-one (CID 118990056) is 4-(chloromethyl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-(chloromethyl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-(chloromethyl)-5-fluoro-1H-pyridin-2-one is O=c1cc(CCl)c(F)c[nH]1.
What is the InChIKey of 4-(chloromethyl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is HAHKCYCAJDIATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-2-4-1-6(10)9-3-5(4)8/h1,3H,2H2,(H,9,10).
What are the key properties of 4-(chloromethyl)-5-fluoro-1H-pyridin-2-one?
4-(chloromethyl)-5-fluoro-1H-pyridin-2-one has a molecular weight of 161.56 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 118990056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).