5-(difluoromethyl)-3-nitro-1H-pyridin-2-one

C6H4F2N2O3 — CID 130097008

IUPAC5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4F2N2O3/c7-5(8)3-1-4(10(12)13)6(11)9-2-3/h1-2,5H,(H,9,11)
InChIKeyQQCPLKSSFNLLED-UHFFFAOYSA-N
MW190.11 g/mol
LogP1.22
Rot. Bonds2

About 5-(difluoromethyl)-3-nitro-1H-pyridin-2-one

5-(difluoromethyl)-3-nitro-1H-pyridin-2-one (PubChem CID 130097008) has the molecular formula C6H4F2N2O3 and a molecular weight of 190.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
PubChem CID130097008
Molecular FormulaC6H4F2N2O3
Molecular Weight190.11 g/mol
Exact Mass190.02
IUPAC Name5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4F2N2O3/c7-5(8)3-1-4(10(12)13)6(11)9-2-3/h1-2,5H,(H,9,11)
InChIKeyQQCPLKSSFNLLED-UHFFFAOYSA-N
XLogP1.22
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-3-nitro-1H-pyridin-2-one (CID 130097008) is 5-(difluoromethyl)-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-3-nitro-1H-pyridin-2-one is O=c1[nH]cc(C(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 5-(difluoromethyl)-3-nitro-1H-pyridin-2-one?
The InChIKey is QQCPLKSSFNLLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O3/c7-5(8)3-1-4(10(12)13)6(11)9-2-3/h1-2,5H,(H,9,11).
What are the key properties of 5-(difluoromethyl)-3-nitro-1H-pyridin-2-one?
5-(difluoromethyl)-3-nitro-1H-pyridin-2-one has a molecular weight of 190.11 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 130097008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).