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

C6H5BrFNO — CID 91081042

IUPAC4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one
SMILESCc1c(Br)c(F)c[nH]c1=O
InChIInChI=1S/C6H5BrFNO/c1-3-5(7)4(8)2-9-6(3)10/h2H,1H3,(H,9,10)
InChIKeySOWNYCIOUDWGQP-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.58
Rot. Bonds

About 4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one

4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one (PubChem CID 91081042) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one
PubChem CID91081042
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one
SMILESCc1c(Br)c(F)c[nH]c1=O
InChIInChI=1S/C6H5BrFNO/c1-3-5(7)4(8)2-9-6(3)10/h2H,1H3,(H,9,10)
InChIKeySOWNYCIOUDWGQP-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 4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one?
The IUPAC name of 4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one (CID 91081042) is 4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one is Cc1c(Br)c(F)c[nH]c1=O.
What is the InChIKey of 4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one?
The InChIKey is SOWNYCIOUDWGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c1-3-5(7)4(8)2-9-6(3)10/h2H,1H3,(H,9,10).
What are the key properties of 4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one?
4-bromo-5-fluoro-3-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 4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 91081042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).