4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid

C11H6Cl2N2O3 — CID 81345642

IUPAC4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Cl)nc(=O)[nH]1
InChIInChI=1S/C11H6Cl2N2O3/c12-5-1-2-6(7(13)3-5)8-4-9(10(16)17)15-11(18)14-8/h1-4H,(H,16,17)(H,14,15,18)
InChIKeyLIGGSEFHIIMCDA-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.44
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid

4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 81345642) has the molecular formula C11H6Cl2N2O3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
PubChem CID81345642
Molecular FormulaC11H6Cl2N2O3
Molecular Weight285.09 g/mol
Exact Mass283.98
IUPAC Name4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Cl)nc(=O)[nH]1
InChIInChI=1S/C11H6Cl2N2O3/c12-5-1-2-6(7(13)3-5)8-4-9(10(16)17)15-11(18)14-8/h1-4H,(H,16,17)(H,14,15,18)
InChIKeyLIGGSEFHIIMCDA-UHFFFAOYSA-N
XLogP2.44
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid (CID 81345642) is 4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2Cl)nc(=O)[nH]1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is LIGGSEFHIIMCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O3/c12-5-1-2-6(7(13)3-5)8-4-9(10(16)17)15-11(18)14-8/h1-4H,(H,16,17)(H,14,15,18).
What are the key properties of 4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 285.09 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 81345642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).