2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one

C6H4F2N2O4 — CID 118814916

IUPAC2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one
SMILESO=c1c(O)c[nH]c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H4F2N2O4/c7-6(8)3-4(10(13)14)5(12)2(11)1-9-3/h1,6,11H,(H,9,12)
InChIKeyHZEWCKIHSBKFKO-UHFFFAOYSA-N
MW206.10 g/mol
LogP0.93
Rot. Bonds2

About 2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one

2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one (PubChem CID 118814916) has the molecular formula C6H4F2N2O4 and a molecular weight of 206.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one
PubChem CID118814916
Molecular FormulaC6H4F2N2O4
Molecular Weight206.10 g/mol
Exact Mass206.01
IUPAC Name2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one
SMILESO=c1c(O)c[nH]c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H4F2N2O4/c7-6(8)3-4(10(13)14)5(12)2(11)1-9-3/h1,6,11H,(H,9,12)
InChIKeyHZEWCKIHSBKFKO-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-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde
CID 118809039
2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide
CID 130100388
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118803456
5-(difluoromethyl)-2-(hydroxymethyl)-3-nitro-1H-pyridin-4-one
CID 130084380
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile
CID 130076532
5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one
CID 130100117
2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one
CID 118803464
5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130099970
methyl 2-[2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridin-3-yl]acetate
CID 133103204
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonyl chloride
CID 133103135
5-amino-4-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 130104623
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one (CID 118814916) is 2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one is O=c1c(O)c[nH]c(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one?
The InChIKey is HZEWCKIHSBKFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O4/c7-6(8)3-4(10(13)14)5(12)2(11)1-9-3/h1,6,11H,(H,9,12).
What are the key properties of 2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one?
2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-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 2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one is sourced from PubChem (CID 118814916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).