5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one

C7H3F5N2O3 — CID 133102983

IUPAC5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)c(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H3F5N2O3/c8-5(9)2-1-3(14(16)17)6(15)13-4(2)7(10,11)12/h1,5H,(H,13,15)
InChIKeyRVLNLTAHXPLWDY-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.24
Rot. Bonds2

About 5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one

5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 133102983) has the molecular formula C7H3F5N2O3 and a molecular weight of 258.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID133102983
Molecular FormulaC7H3F5N2O3
Molecular Weight258.10 g/mol
Exact Mass258.01
IUPAC Name5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)c(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H3F5N2O3/c8-5(9)2-1-3(14(16)17)6(15)13-4(2)7(10,11)12/h1,5H,(H,13,15)
InChIKeyRVLNLTAHXPLWDY-UHFFFAOYSA-N
XLogP2.24
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.24
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

6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 118802906
3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130110303
5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083825
3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide
CID 133102990
3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one
CID 130083169
3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083807
2-(difluoromethyl)-1-nitro-4-(trifluoromethyl)benzene
CID 46311752
1-chloro-2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)benzene
CID 171006784
ethyl 2-[5-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102186
5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133103318
4-(difluoromethyl)-5-fluoro-2-nitrobenzoic acid
CID 131417827
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130110143

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one (CID 133102983) is 5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)c(C(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is RVLNLTAHXPLWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5N2O3/c8-5(9)2-1-3(14(16)17)6(15)13-4(2)7(10,11)12/h1,5H,(H,13,15).
What are the key properties of 5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one?
5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 258.10 g/mol, XLogP of 2.24, 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-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 133102983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).