1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one

C10H11BrF3NO — CID 64995748

IUPAC1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(CBr)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H11BrF3NO/c1-7(4-11)5-15-6-8(10(12,13)14)2-3-9(15)16/h2-3,6-7H,4-5H2,1H3
InChIKeyUYEOMSFZTFVAML-UHFFFAOYSA-N
MW298.10 g/mol
LogP2.90
Rot. Bonds3

About 1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one

1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 64995748) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID64995748
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(CBr)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H11BrF3NO/c1-7(4-11)5-15-6-8(10(12,13)14)2-3-9(15)16/h2-3,6-7H,4-5H2,1H3
InChIKeyUYEOMSFZTFVAML-UHFFFAOYSA-N
XLogP2.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one (CID 64995748) is 1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one is CC(CBr)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is UYEOMSFZTFVAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-7(4-11)5-15-6-8(10(12,13)14)2-3-9(15)16/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one?
1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 298.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 64995748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).