5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one

C10H5F2N3O3 — CID 122358515

IUPAC5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C10H5F2N3O3/c11-7-2-8(12)9(15(17)18)1-5(7)6-3-13-4-14-10(6)16/h1-4H,(H,13,14,16)
InChIKeyHPRXEFGSQIRGRI-UHFFFAOYSA-N
MW253.16 g/mol
LogP1.62
Rot. Bonds2

About 5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one

5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one (PubChem CID 122358515) has the molecular formula C10H5F2N3O3 and a molecular weight of 253.16 g/mol. Its IUPAC name is 5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one
PubChem CID122358515
Molecular FormulaC10H5F2N3O3
Molecular Weight253.16 g/mol
Exact Mass253.03
IUPAC Name5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C10H5F2N3O3/c11-7-2-8(12)9(15(17)18)1-5(7)6-3-13-4-14-10(6)16/h1-4H,(H,13,14,16)
InChIKeyHPRXEFGSQIRGRI-UHFFFAOYSA-N
XLogP1.62
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 51.62
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'}

Analyze 5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-difluoro-2,5-dinitrobenzene
CID 14951568
5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one
CID 122358564
4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole
CID 10988876
4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine
CID 24902220
4-fluoro-5-nitro-1H-pyridin-2-one
CID 118833070
2,4-difluoro-5-nitrobenzenethiol
CID 90220196
1-(2,5-difluoro-4-nitrophenyl)-2,3,4,5,6-pentafluorobenzene
CID 118815275
5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole
CID 11434928
5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 103695300
2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol
CID 117348385
3-fluoro-5-(6-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 106522847
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one (CID 122358515) is 5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one is O=c1[nH]cncc1-c1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of 5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one?
The InChIKey is HPRXEFGSQIRGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N3O3/c11-7-2-8(12)9(15(17)18)1-5(7)6-3-13-4-14-10(6)16/h1-4H,(H,13,14,16).
What are the key properties of 5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one?
5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one has a molecular weight of 253.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 122358515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).