1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one

C11H13ClF3NO — CID 63279575

IUPAC1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCCCCCl
InChIInChI=1S/C11H13ClF3NO/c12-6-2-1-3-7-16-8-9(11(13,14)15)4-5-10(16)17/h4-5,8H,1-3,6-7H2
InChIKeyQMGPHUXFDTXCGV-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.28
Rot. Bonds5

About 1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one

1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63279575) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID63279575
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCCCCCl
InChIInChI=1S/C11H13ClF3NO/c12-6-2-1-3-7-16-8-9(11(13,14)15)4-5-10(16)17/h4-5,8H,1-3,6-7H2
InChIKeyQMGPHUXFDTXCGV-UHFFFAOYSA-N
XLogP3.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one (CID 63279575) is 1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CCCCCCl.
What is the InChIKey of 1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is QMGPHUXFDTXCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c12-6-2-1-3-7-16-8-9(11(13,14)15)4-5-10(16)17/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one?
1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 267.68 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63279575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).