4-bromo-5-fluoro-1-methylpyridin-2-one

C6H5BrFNO — CID 59635671

IUPAC4-bromo-5-fluoro-1-methylpyridin-2-one
SMILESCn1cc(F)c(Br)cc1=O
InChIInChI=1S/C6H5BrFNO/c1-9-3-5(8)4(7)2-6(9)10/h2-3H,1H3
InChIKeyFRLYEFGFRWMIMI-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.29
Rot. Bonds

About 4-bromo-5-fluoro-1-methylpyridin-2-one

4-bromo-5-fluoro-1-methylpyridin-2-one (PubChem CID 59635671) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-bromo-5-fluoro-1-methylpyridin-2-one
PubChem CID59635671
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name4-bromo-5-fluoro-1-methylpyridin-2-one
SMILESCn1cc(F)c(Br)cc1=O
InChIInChI=1S/C6H5BrFNO/c1-9-3-5(8)4(7)2-6(9)10/h2-3H,1H3
InChIKeyFRLYEFGFRWMIMI-UHFFFAOYSA-N
XLogP1.29
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1-methylpyridin-2-one?
The IUPAC name of 4-bromo-5-fluoro-1-methylpyridin-2-one (CID 59635671) is 4-bromo-5-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 4-bromo-5-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 4-bromo-5-fluoro-1-methylpyridin-2-one is Cn1cc(F)c(Br)cc1=O.
What is the InChIKey of 4-bromo-5-fluoro-1-methylpyridin-2-one?
The InChIKey is FRLYEFGFRWMIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c1-9-3-5(8)4(7)2-6(9)10/h2-3H,1H3.
What are the key properties of 4-bromo-5-fluoro-1-methylpyridin-2-one?
4-bromo-5-fluoro-1-methylpyridin-2-one has a molecular weight of 206.01 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 59635671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).