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

C6H4F2N2O4 — CID 130100125

IUPAC6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c([N+](=O)[O-])c1O
InChIInChI=1S/C6H4F2N2O4/c7-5(8)2-1-3(11)4(12)6(9-2)10(13)14/h1,5,12H,(H,9,11)
InChIKeySYLMPSLBHNSQII-UHFFFAOYSA-N
MW206.10 g/mol
LogP0.93
Rot. Bonds2

About 6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one

6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one (PubChem CID 130100125) has the molecular formula C6H4F2N2O4 and a molecular weight of 206.10 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one
PubChem CID130100125
Molecular FormulaC6H4F2N2O4
Molecular Weight206.10 g/mol
Exact Mass206.01
IUPAC Name6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c([N+](=O)[O-])c1O
InChIInChI=1S/C6H4F2N2O4/c7-5(8)2-1-3(11)4(12)6(9-2)10(13)14/h1,5,12H,(H,9,11)
InChIKeySYLMPSLBHNSQII-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

3-bromo-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one
CID 130110150
3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one
CID 130084284
2-amino-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 119007865
5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one
CID 130100117
ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate
CID 133103048
6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde
CID 137203197
2-[6-(difluoromethyl)-4-nitro-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133102694
5-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-carbaldehyde
CID 130084413
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130104925
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130110143
5-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130097010
2-[3-(difluoromethyl)-2-nitro-6-oxo-1H-pyridin-4-yl]acetic acid
CID 133103082

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one (CID 130100125) is 6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c([N+](=O)[O-])c1O.
What is the InChIKey of 6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one?
The InChIKey is SYLMPSLBHNSQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O4/c7-5(8)2-1-3(11)4(12)6(9-2)10(13)14/h1,5,12H,(H,9,11).
What are the key properties of 6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one?
6-(difluoromethyl)-3-hydroxy-2-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 6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one is sourced from PubChem (CID 130100125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).