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

C6H5F3N2O — CID 130103833

IUPAC3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
SMILESNc1c(F)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C6H5F3N2O/c7-5(8)2-1-11-6(9)3(10)4(2)12/h1,5H,10H2,(H,11,12)
InChIKeyBCUUPQCYOYJOQL-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.03
Rot. Bonds1

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

3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one (PubChem CID 130103833) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
PubChem CID130103833
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
SMILESNc1c(F)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C6H5F3N2O/c7-5(8)2-1-11-6(9)3(10)4(2)12/h1,5H,10H2,(H,11,12)
InChIKeyBCUUPQCYOYJOQL-UHFFFAOYSA-N
XLogP1.03
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-4-one
CID 130104725
5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid
CID 130079670
2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid
CID 133093442
2-[5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130079563
2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 118853919
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590
2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
CID 119000477
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079469
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
CID 130104879
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130103823
3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130104559

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one?
The IUPAC name of 3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one (CID 130103833) is 3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one?
The canonical SMILES for 3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one is Nc1c(F)[nH]cc(C(F)F)c1=O.
What is the InChIKey of 3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one?
The InChIKey is BCUUPQCYOYJOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-5(8)2-1-11-6(9)3(10)4(2)12/h1,5H,10H2,(H,11,12).
What are the key properties of 3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one?
3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one has a molecular weight of 178.11 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 130103833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).