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

C7H3F2N3O3 — CID 118810583

IUPAC5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)c[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F2N3O3/c8-6(9)4-2-11-7(13)5(12(14)15)3(4)1-10/h2,6H,(H,11,13)
InChIKeyBJPKORINGMKKAT-UHFFFAOYSA-N
MW215.11 g/mol
LogP1.09
Rot. Bonds2

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

5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile (PubChem CID 118810583) has the molecular formula C7H3F2N3O3 and a molecular weight of 215.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile
PubChem CID118810583
Molecular FormulaC7H3F2N3O3
Molecular Weight215.11 g/mol
Exact Mass215.01
IUPAC Name5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)c[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F2N3O3/c8-6(9)4-2-11-7(13)5(12(14)15)3(4)1-10/h2,6H,(H,11,13)
InChIKeyBJPKORINGMKKAT-UHFFFAOYSA-N
XLogP1.09
TPSA99.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile (CID 118810583) is 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile is N#Cc1c(C(F)F)c[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is BJPKORINGMKKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2N3O3/c8-6(9)4-2-11-7(13)5(12(14)15)3(4)1-10/h2,6H,(H,11,13).
What are the key properties of 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile?
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 215.11 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 118810583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).