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

C5H3BrFNO — CID 118839380

IUPAC4-bromo-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Br)c1F
InChIInChI=1S/C5H3BrFNO/c6-3-1-2-8-5(9)4(3)7/h1-2H,(H,8,9)
InChIKeyBTZFACZOCCVDIR-UHFFFAOYSA-N
MW191.99 g/mol
LogP1.28
Rot. Bonds

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

4-bromo-3-fluoro-1H-pyridin-2-one (PubChem CID 118839380) has the molecular formula C5H3BrFNO and a molecular weight of 191.99 g/mol. Its IUPAC name is 4-bromo-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-fluoro-1H-pyridin-2-one
PubChem CID118839380
Molecular FormulaC5H3BrFNO
Molecular Weight191.99 g/mol
Exact Mass190.94
IUPAC Name4-bromo-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Br)c1F
InChIInChI=1S/C5H3BrFNO/c6-3-1-2-8-5(9)4(3)7/h1-2H,(H,8,9)
InChIKeyBTZFACZOCCVDIR-UHFFFAOYSA-N
XLogP1.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.99
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-3-fluoro-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-bromo-3-fluoro-1H-pyridin-2-one (CID 118839380) is 4-bromo-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-3-fluoro-1H-pyridin-2-one is O=c1[nH]ccc(Br)c1F.
What is the InChIKey of 4-bromo-3-fluoro-1H-pyridin-2-one?
The InChIKey is BTZFACZOCCVDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFNO/c6-3-1-2-8-5(9)4(3)7/h1-2H,(H,8,9).
What are the key properties of 4-bromo-3-fluoro-1H-pyridin-2-one?
4-bromo-3-fluoro-1H-pyridin-2-one has a molecular weight of 191.99 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 118839380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).