5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one

C8H9BrFNO — CID 67479273

IUPAC5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one
SMILESCC(CF)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C8H9BrFNO/c1-5(3-10)7-2-6(9)4-11-8(7)12/h2,4-5H,3H2,1H3,(H,11,12)
InChIKeyLMHHUBBXELJXHK-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.21
Rot. Bonds2

About 5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one

5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one (PubChem CID 67479273) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one
PubChem CID67479273
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one
SMILESCC(CF)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C8H9BrFNO/c1-5(3-10)7-2-6(9)4-11-8(7)12/h2,4-5H,3H2,1H3,(H,11,12)
InChIKeyLMHHUBBXELJXHK-UHFFFAOYSA-N
XLogP2.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one (CID 67479273) is 5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one is CC(CF)c1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one?
The InChIKey is LMHHUBBXELJXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-5(3-10)7-2-6(9)4-11-8(7)12/h2,4-5H,3H2,1H3,(H,11,12).
What are the key properties of 5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one?
5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one has a molecular weight of 234.07 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 67479273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).