1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one

C8H9ClFNO2 — CID 130834555

IUPAC1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one
SMILESO=c1ccc(F)cn1CC(O)CCl
InChIInChI=1S/C8H9ClFNO2/c9-3-7(12)5-11-4-6(10)1-2-8(11)13/h1-2,4,7,12H,3,5H2
InChIKeyPCSMGQHHLJASSQ-UHFFFAOYSA-N
MW205.62 g/mol
LogP0.59
Rot. Bonds3

About 1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one

1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one (PubChem CID 130834555) has the molecular formula C8H9ClFNO2 and a molecular weight of 205.62 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one
PubChem CID130834555
Molecular FormulaC8H9ClFNO2
Molecular Weight205.62 g/mol
Exact Mass205.03
IUPAC Name1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one
SMILESO=c1ccc(F)cn1CC(O)CCl
InChIInChI=1S/C8H9ClFNO2/c9-3-7(12)5-11-4-6(10)1-2-8(11)13/h1-2,4,7,12H,3,5H2
InChIKeyPCSMGQHHLJASSQ-UHFFFAOYSA-N
XLogP0.59
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Chloro-2-hydroxypropyl)-5-(trifluoromethyl)pyridin-2-one
CID 112560294
1-(3-Chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one
CID 112560428
5-Fluoro-1-(2-hydroxypropyl)pyridin-2-one
CID 130834553
5-Chloro-1-[3-(5-chloro-2-oxo-1-pyridinyl)-2-hydroxypropyl]pyridin-2-one
CID 53934564
1-[(2R)-3-chloro-2-hydroxypropyl]-2H-pyrrol-5-one
CID 170143105
1-(3-Chloro-2-hydroxypropyl)pyridin-2-one
CID 24741265
5-Chloro-1-(2,3-dihydroxypropyl)pyridin-2-one
CID 84313495
3,5-Dibromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one
CID 104451423
5-Bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one
CID 112560079
1-(3-Chloro-2-hydroxypropyl)-6-methylpyridin-2-one
CID 112560173
1-(3-Chloro-2-hydroxypropyl)-4-methylpyridin-2-one
CID 112560281
1-(3-Chloro-2-hydroxypropyl)-3-methylpyridin-2-one
CID 112560286

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one?
The IUPAC name of 1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one (CID 130834555) is 1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one.
What is the SMILES notation for 1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one?
The canonical SMILES for 1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one is O=c1ccc(F)cn1CC(O)CCl.
What is the InChIKey of 1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one?
The InChIKey is PCSMGQHHLJASSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2/c9-3-7(12)5-11-4-6(10)1-2-8(11)13/h1-2,4,7,12H,3,5H2.
What are the key properties of 1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one?
1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one has a molecular weight of 205.62 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hydroxypropyl)-5-fluoropyridin-2-one is sourced from PubChem (CID 130834555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).