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

C6H5BrF2N2O — CID 118806031

IUPAC4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1c(Br)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C6H5BrF2N2O/c7-2-1-11-6(12)3(4(2)10)5(8)9/h1,5H,(H3,10,11,12)
InChIKeyCCUIJXWDCGZGPY-UHFFFAOYSA-N
MW239.02 g/mol
LogP1.66
Rot. Bonds1

About 4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one

4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118806031) has the molecular formula C6H5BrF2N2O and a molecular weight of 239.02 g/mol. Its IUPAC name is 4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118806031
Molecular FormulaC6H5BrF2N2O
Molecular Weight239.02 g/mol
Exact Mass237.96
IUPAC Name4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1c(Br)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C6H5BrF2N2O/c7-2-1-11-6(12)3(4(2)10)5(8)9/h1,5H,(H3,10,11,12)
InChIKeyCCUIJXWDCGZGPY-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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Related Compounds

5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine
CID 13491780
5-Bromo-3-(difluoromethyl)pyridin-2(1H)-one
CID 67979901
4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one
CID 91081042
5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 118024760
5-bromo-3-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 156284115
4-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine
CID 118704107
4-Bromo-3-(difluoromethyl)pyridin-2-ol
CID 118800743
4-Amino-5-chloro-3-(difluoromethyl)pyridin-2-ol
CID 118800931
4-Amino-3-(difluoromethyl)-5-fluoropyridin-2-ol
CID 118805633
4-Bromo-3-(difluoromethyl)-5-iodopyridin-2-ol
CID 118812000
4-(Aminomethyl)-5-bromo-3-(difluoromethyl)pyridin-2-ol
CID 118812294
4-Amino-3-bromo-5-(difluoromethyl)pyridin-2-ol
CID 118822863

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one (CID 118806031) is 4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one is Nc1c(Br)c[nH]c(=O)c1C(F)F.
What is the InChIKey of 4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is CCUIJXWDCGZGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O/c7-2-1-11-6(12)3(4(2)10)5(8)9/h1,5H,(H3,10,11,12).
What are the key properties of 4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
4-amino-5-bromo-3-(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 4-amino-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118806031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).