3-bromo-5-(fluoromethyl)-1H-pyridin-2-one

C6H5BrFNO — CID 70864353

IUPAC3-bromo-5-(fluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CF)cc1Br
InChIInChI=1S/C6H5BrFNO/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,2H2,(H,9,10)
InChIKeyKZUMIJPAJFOZSF-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.61
Rot. Bonds1

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

3-bromo-5-(fluoromethyl)-1H-pyridin-2-one (PubChem CID 70864353) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 3-bromo-5-(fluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-(fluoromethyl)-1H-pyridin-2-one
PubChem CID70864353
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name3-bromo-5-(fluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CF)cc1Br
InChIInChI=1S/C6H5BrFNO/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,2H2,(H,9,10)
InChIKeyKZUMIJPAJFOZSF-UHFFFAOYSA-N
XLogP1.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(fluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-(fluoromethyl)-1H-pyridin-2-one (CID 70864353) is 3-bromo-5-(fluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-(fluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-(fluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(CF)cc1Br.
What is the InChIKey of 3-bromo-5-(fluoromethyl)-1H-pyridin-2-one?
The InChIKey is KZUMIJPAJFOZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,2H2,(H,9,10).
What are the key properties of 3-bromo-5-(fluoromethyl)-1H-pyridin-2-one?
3-bromo-5-(fluoromethyl)-1H-pyridin-2-one has a molecular weight of 206.01 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(fluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 70864353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).