2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C11H7F2N3O4 — CID 79756615

IUPAC2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2c(F)ccc([N+](=O)[O-])c2F)[nH]c1=O
InChIInChI=1S/C11H7F2N3O4/c1-4-10(17)14-9(15-11(4)18)7-5(12)2-3-6(8(7)13)16(19)20/h2-3H,1H3,(H2,14,15,17,18)
InChIKeyUFUGYJJYUYDIKW-UHFFFAOYSA-N
MW283.19 g/mol
LogP1.64
Rot. Bonds2

About 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 79756615) has the molecular formula C11H7F2N3O4 and a molecular weight of 283.19 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID79756615
Molecular FormulaC11H7F2N3O4
Molecular Weight283.19 g/mol
Exact Mass283.04
IUPAC Name2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2c(F)ccc([N+](=O)[O-])c2F)[nH]c1=O
InChIInChI=1S/C11H7F2N3O4/c1-4-10(17)14-9(15-11(4)18)7-5(12)2-3-6(8(7)13)16(19)20/h2-3H,1H3,(H2,14,15,17,18)
InChIKeyUFUGYJJYUYDIKW-UHFFFAOYSA-N
XLogP1.64
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 79756615) is 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(-c2c(F)ccc([N+](=O)[O-])c2F)[nH]c1=O.
What is the InChIKey of 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is UFUGYJJYUYDIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O4/c1-4-10(17)14-9(15-11(4)18)7-5(12)2-3-6(8(7)13)16(19)20/h2-3H,1H3,(H2,14,15,17,18).
What are the key properties of 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 283.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79756615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).