3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile

C7H5F2N3O — CID 130103221

IUPAC3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)c[nH]c(=O)c1N
InChIInChI=1S/C7H5F2N3O/c8-6(9)4-2-12-7(13)5(11)3(4)1-10/h2,6H,11H2,(H,12,13)
InChIKeyUIMMUXHXLLSLJM-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.77
Rot. Bonds1

About 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile

3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile (PubChem CID 130103221) has the molecular formula C7H5F2N3O and a molecular weight of 185.13 g/mol. Its IUPAC name is 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
PubChem CID130103221
Molecular FormulaC7H5F2N3O
Molecular Weight185.13 g/mol
Exact Mass185.04
IUPAC Name3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)c[nH]c(=O)c1N
InChIInChI=1S/C7H5F2N3O/c8-6(9)4-2-12-7(13)5(11)3(4)1-10/h2,6H,11H2,(H,12,13)
InChIKeyUIMMUXHXLLSLJM-UHFFFAOYSA-N
XLogP0.77
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile
CID 130076847
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590
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-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845
3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130104559
2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 118809846
2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076765
4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817785
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257
3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130103833
2-[5-(difluoromethyl)-4-methyl-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083859

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile (CID 130103221) is 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile is N#Cc1c(C(F)F)c[nH]c(=O)c1N.
What is the InChIKey of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is UIMMUXHXLLSLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O/c8-6(9)4-2-12-7(13)5(11)3(4)1-10/h2,6H,11H2,(H,12,13).
What are the key properties of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 185.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 130103221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).