1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one

C9H9ClF3NO2 — CID 112560428

IUPAC1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CC(O)CCl
InChIInChI=1S/C9H9ClF3NO2/c10-4-6(15)5-14-7(9(11,12)13)2-1-3-8(14)16/h1-3,6,15H,4-5H2
InChIKeyUQDXEEFXPDAQRQ-UHFFFAOYSA-N
MW255.62 g/mol
LogP1.47
Rot. Bonds3

About 1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one

1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 112560428) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID112560428
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC Name1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CC(O)CCl
InChIInChI=1S/C9H9ClF3NO2/c10-4-6(15)5-14-7(9(11,12)13)2-1-3-8(14)16/h1-3,6,15H,4-5H2
InChIKeyUQDXEEFXPDAQRQ-UHFFFAOYSA-N
XLogP1.47
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 51.47
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-(2-Hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319406
1-(2-Hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319535
1-[2-(2-Chloroethoxy)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319866
1-(3-Hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one
CID 81319877
1-(2-Hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319998
1-[(2S)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one
CID 103935446
1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one
CID 103935447
1-(3-Chloro-2-hydroxypropyl)-5-(trifluoromethyl)pyridin-2-one
CID 112560294
1-(3-Chloro-2-hydroxypropyl)-5-fluoropyridin-2-one
CID 130834555
1-(3-Chloro-2-hydroxypropyl)pyridin-2-one
CID 24741265
1-(3-Chloro-2-hydroxypropyl)-6-methylpyridin-2-one
CID 112560173

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one (CID 112560428) is 1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1CC(O)CCl.
What is the InChIKey of 1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is UQDXEEFXPDAQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2/c10-4-6(15)5-14-7(9(11,12)13)2-1-3-8(14)16/h1-3,6,15H,4-5H2.
What are the key properties of 1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one?
1-(3-chloro-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 255.62 g/mol, XLogP of 1.47, 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)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 112560428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).