5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one

C6H5BrF2N2O — CID 130101701

IUPAC5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1cc(Br)c(=O)[nH]c1C(F)F
InChIInChI=1S/C6H5BrF2N2O/c7-2-1-3(10)4(5(8)9)11-6(2)12/h1,5H,10H2,(H,11,12)
InChIKeyKTWIRNQPTKQYBT-UHFFFAOYSA-N
MW239.02 g/mol
LogP1.66
Rot. Bonds1

About 5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one

5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 130101701) has the molecular formula C6H5BrF2N2O and a molecular weight of 239.02 g/mol. Its IUPAC name is 5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one
PubChem CID130101701
Molecular FormulaC6H5BrF2N2O
Molecular Weight239.02 g/mol
Exact Mass237.96
IUPAC Name5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1cc(Br)c(=O)[nH]c1C(F)F
InChIInChI=1S/C6H5BrF2N2O/c7-2-1-3(10)4(5(8)9)11-6(2)12/h1,5H,10H2,(H,11,12)
InChIKeyKTWIRNQPTKQYBT-UHFFFAOYSA-N
XLogP1.66
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.02
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one (CID 130101701) is 5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one is Nc1cc(Br)c(=O)[nH]c1C(F)F.
What is the InChIKey of 5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is KTWIRNQPTKQYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O/c7-2-1-3(10)4(5(8)9)11-6(2)12/h1,5H,10H2,(H,11,12).
What are the key properties of 5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 239.02 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130101701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).