1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one

C14H10F2N2O5 — CID 41174320

IUPAC1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H10F2N2O5/c15-14(16)23-11-4-1-9(2-5-11)12(19)8-17-7-10(18(21)22)3-6-13(17)20/h1-7,14H,8H2
InChIKeyPEPJKQIRCRDADZ-UHFFFAOYSA-N
MW324.24 g/mol
LogP2.24
Rot. Bonds6

About 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one

1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one (PubChem CID 41174320) has the molecular formula C14H10F2N2O5 and a molecular weight of 324.24 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one
PubChem CID41174320
Molecular FormulaC14H10F2N2O5
Molecular Weight324.24 g/mol
Exact Mass324.06
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H10F2N2O5/c15-14(16)23-11-4-1-9(2-5-11)12(19)8-17-7-10(18(21)22)3-6-13(17)20/h1-7,14H,8H2
InChIKeyPEPJKQIRCRDADZ-UHFFFAOYSA-N
XLogP2.24
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 52684564
(4-nitrophenyl)methyl 4-(difluoromethoxy)benzoate
CID 84602222
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
1-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-one
CID 38895977
1-[2-(4-nitrophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 43520066
N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 60529215
1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 7757192
5-nitro-1-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]pyridin-2-one
CID 55839736
4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide
CID 27678295
N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119584638
2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]acetic acid
CID 119198013
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide
CID 7890378

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one (CID 41174320) is 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one is O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one?
The InChIKey is PEPJKQIRCRDADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O5/c15-14(16)23-11-4-1-9(2-5-11)12(19)8-17-7-10(18(21)22)3-6-13(17)20/h1-7,14H,8H2.
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one?
1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one has a molecular weight of 324.24 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one is sourced from PubChem (CID 41174320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).