4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid

C11H5Cl2FN2O3 — CID 81346491

IUPAC4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)c(Cl)cc2Cl)nc(=O)[nH]1
InChIInChI=1S/C11H5Cl2FN2O3/c12-5-2-6(13)7(14)1-4(5)8-3-9(10(17)18)16-11(19)15-8/h1-3H,(H,17,18)(H,15,16,19)
InChIKeyZSLNVMZOKMKMQM-UHFFFAOYSA-N
MW303.08 g/mol
LogP2.58
Rot. Bonds2

About 4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid

4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 81346491) has the molecular formula C11H5Cl2FN2O3 and a molecular weight of 303.08 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
PubChem CID81346491
Molecular FormulaC11H5Cl2FN2O3
Molecular Weight303.08 g/mol
Exact Mass301.97
IUPAC Name4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)c(Cl)cc2Cl)nc(=O)[nH]1
InChIInChI=1S/C11H5Cl2FN2O3/c12-5-2-6(13)7(14)1-4(5)8-3-9(10(17)18)16-11(19)15-8/h1-3H,(H,17,18)(H,15,16,19)
InChIKeyZSLNVMZOKMKMQM-UHFFFAOYSA-N
XLogP2.58
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid 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 4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid (CID 81346491) is 4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1cc(-c2cc(F)c(Cl)cc2Cl)nc(=O)[nH]1.
What is the InChIKey of 4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is ZSLNVMZOKMKMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN2O3/c12-5-2-6(13)7(14)1-4(5)8-3-9(10(17)18)16-11(19)15-8/h1-3H,(H,17,18)(H,15,16,19).
What are the key properties of 4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 303.08 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 81346491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).