3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one

C10H6FN3O3 — CID 166609653

IUPAC3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H6FN3O3/c11-8-2-1-6(14(16)17)5-7(8)9-10(15)13-4-3-12-9/h1-5H,(H,13,15)
InChIKeyPHBLGGMZGVQOQN-UHFFFAOYSA-N
MW235.17 g/mol
LogP1.48
Rot. Bonds2

About 3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one

3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one (PubChem CID 166609653) has the molecular formula C10H6FN3O3 and a molecular weight of 235.17 g/mol. Its IUPAC name is 3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one
PubChem CID166609653
Molecular FormulaC10H6FN3O3
Molecular Weight235.17 g/mol
Exact Mass235.04
IUPAC Name3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H6FN3O3/c11-8-2-1-6(14(16)17)5-7(8)9-10(15)13-4-3-12-9/h1-5H,(H,13,15)
InChIKeyPHBLGGMZGVQOQN-UHFFFAOYSA-N
XLogP1.48
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
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-(2-fluoro-5-nitrophenyl)pyrimidine
CID 22473571
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3-(2-chloro-4-fluorophenyl)-1H-pyrazin-2-one
CID 106520984
2-fluoro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64529688
5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde
CID 131866966
3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
CID 22473560
3-(3-nitrophenyl)-1H-pyrazine-2-thione
CID 106515750
5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one
CID 90026137
1-fluoro-2-(2-methylsulfanylphenyl)-4-nitrobenzene
CID 22285277
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole
CID 175582721
3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one
CID 106521879

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one (CID 166609653) is 3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one is O=c1[nH]ccnc1-c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one?
The InChIKey is PHBLGGMZGVQOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3/c11-8-2-1-6(14(16)17)5-7(8)9-10(15)13-4-3-12-9/h1-5H,(H,13,15).
What are the key properties of 3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one?
3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one has a molecular weight of 235.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 166609653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).