5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one

C6H4F2N2O4 — CID 130100117

IUPAC5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one
SMILESO=c1cc(O)c(C(F)F)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H4F2N2O4/c7-5(8)4-2(11)1-3(12)9-6(4)10(13)14/h1,5H,(H2,9,11,12)
InChIKeyZJRZBZBBTWOHAL-UHFFFAOYSA-N
MW206.10 g/mol
LogP0.93
Rot. Bonds2

About 5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one

5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one (PubChem CID 130100117) has the molecular formula C6H4F2N2O4 and a molecular weight of 206.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one
PubChem CID130100117
Molecular FormulaC6H4F2N2O4
Molecular Weight206.10 g/mol
Exact Mass206.01
IUPAC Name5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one
SMILESO=c1cc(O)c(C(F)F)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H4F2N2O4/c7-5(8)4-2(11)1-3(12)9-6(4)10(13)14/h1,5H,(H2,9,11,12)
InChIKeyZJRZBZBBTWOHAL-UHFFFAOYSA-N
XLogP0.93
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.10
LogP ≤ 50.93
H-Bond Donors ≤ 52
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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Related Compounds

2-[3-(difluoromethyl)-2-nitro-6-oxo-1H-pyridin-4-yl]acetic acid
CID 133103082
4-(chloromethyl)-5-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130084323
5-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-carbaldehyde
CID 130084413
5-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130097010
5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one
CID 130083640
6-bromo-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 119017611
5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one
CID 130082573
6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one
CID 130100125
6-(chloromethyl)-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 118843765
2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one
CID 118814916
3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130100027
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130110143

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one (CID 130100117) is 5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one is O=c1cc(O)c(C(F)F)c([N+](=O)[O-])[nH]1.
What is the InChIKey of 5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one?
The InChIKey is ZJRZBZBBTWOHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O4/c7-5(8)4-2(11)1-3(12)9-6(4)10(13)14/h1,5H,(H2,9,11,12).
What are the key properties of 5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one?
5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one has a molecular weight of 206.10 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one is sourced from PubChem (CID 130100117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).