5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one

C6H3F3N2O3 — CID 22380194

IUPAC5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]cc1[N+](=O)[O-]
InChIInChI=1S/C6H3F3N2O3/c7-6(8,9)5-1-4(12)3(2-10-5)11(13)14/h1-2H,(H,10,12)
InChIKeyVVKVNBMMOVZQRX-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.30
Rot. Bonds1

About 5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one

5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 22380194) has the molecular formula C6H3F3N2O3 and a molecular weight of 208.09 g/mol. Its IUPAC name is 5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID22380194
Molecular FormulaC6H3F3N2O3
Molecular Weight208.09 g/mol
Exact Mass208.01
IUPAC Name5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]cc1[N+](=O)[O-]
InChIInChI=1S/C6H3F3N2O3/c7-6(8,9)5-1-4(12)3(2-10-5)11(13)14/h1-2H,(H,10,12)
InChIKeyVVKVNBMMOVZQRX-UHFFFAOYSA-N
XLogP1.30
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.30
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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Related Compounds

2-Methyl-3-nitropyridin-4(1H)-one
CID 18795827
2-Methyl-5-nitro-4-pyridinol
CID 18795916
2-Fluoro-3-nitropyridin-4-ol
CID 130969051
5-nitro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4(1H)-one
CID 90435612
2-(Difluoromethyl)-4-hydroxy-5-nitropyridine
CID 118814981
3-nitro-2-(trifluoromethyl)-1H-pyridin-4-one
CID 130895160
5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one
CID 138748755
5-amino-2-(trifluoromethyl)-1H-pyridin-4-one;5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one
CID 161245477
3-nitro-2,6-bis(trifluoromethyl)-1H-pyridin-4-one
CID 168074483
2-Fluoro-5-nitropyridin-4-ol
CID 92133078
2-(Difluoromethyl)-4-hydroxy-5-nitro-3-(trifluoromethyl)pyridine
CID 118803448
2-(Difluoromethyl)-4-hydroxy-3-iodo-5-nitropyridine
CID 118814728

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one (CID 22380194) is 5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(C(F)(F)F)[nH]cc1[N+](=O)[O-].
What is the InChIKey of 5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is VVKVNBMMOVZQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O3/c7-6(8,9)5-1-4(12)3(2-10-5)11(13)14/h1-2H,(H,10,12).
What are the key properties of 5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one?
5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 208.09 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 22380194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).