5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one

C6H5BrF2N2O — CID 130101695

IUPAC5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1c(Br)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C6H5BrF2N2O/c7-2-1-3(12)11-5(4(2)10)6(8)9/h1,6H,10H2,(H,11,12)
InChIKeyZRFDUZVZYFVLHQ-UHFFFAOYSA-N
MW239.02 g/mol
LogP1.66
Rot. Bonds1

About 5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one

5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 130101695) has the molecular formula C6H5BrF2N2O and a molecular weight of 239.02 g/mol. Its IUPAC name is 5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one
PubChem CID130101695
Molecular FormulaC6H5BrF2N2O
Molecular Weight239.02 g/mol
Exact Mass237.96
IUPAC Name5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1c(Br)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C6H5BrF2N2O/c7-2-1-3(12)11-5(4(2)10)6(8)9/h1,6H,10H2,(H,11,12)
InChIKeyZRFDUZVZYFVLHQ-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

3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 130103220
4-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118817701
2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
CID 130104803
5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101701
4-bromo-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130110266
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118828957
4,5-dichloro-6-(difluoromethyl)-1H-pyridin-2-one
CID 130099225
4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130079392
4-(aminomethyl)-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082600
6-(difluoromethyl)-5-fluoro-4-iodo-1H-pyridin-2-one
CID 118826088
4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 130100139
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 118834494

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one (CID 130101695) is 5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one is Nc1c(Br)cc(=O)[nH]c1C(F)F.
What is the InChIKey of 5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is ZRFDUZVZYFVLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O/c7-2-1-3(12)11-5(4(2)10)6(8)9/h1,6H,10H2,(H,11,12).
What are the key properties of 5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one?
5-amino-4-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-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130101695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).