5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one

C6H5BrFNO — CID 155822556

IUPAC5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(F)cc1Br
InChIInChI=1S/C6H5BrFNO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)
InChIKeyUVCOYAJLJSYTEX-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.58
Rot. Bonds

About 5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one

5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one (PubChem CID 155822556) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one
PubChem CID155822556
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(F)cc1Br
InChIInChI=1S/C6H5BrFNO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)
InChIKeyUVCOYAJLJSYTEX-UHFFFAOYSA-N
XLogP1.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one (CID 155822556) is 5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(F)cc1Br.
What is the InChIKey of 5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one?
The InChIKey is UVCOYAJLJSYTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10).
What are the key properties of 5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one?
5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one has a molecular weight of 206.01 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 155822556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).