2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C11H7ClN2O3 — CID 12535857

IUPAC2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)9-13-5-8(11(16)17)10(15)14-9/h1-5H,(H,16,17)(H,13,14,15)
InChIKeyPGNZPCAAYIFNRG-UHFFFAOYSA-N
MW250.64 g/mol
LogP1.79
Rot. Bonds2

About 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 12535857) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID12535857
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)9-13-5-8(11(16)17)10(15)14-9/h1-5H,(H,16,17)(H,13,14,15)
InChIKeyPGNZPCAAYIFNRG-UHFFFAOYSA-N
XLogP1.79
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-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

Related Compounds

1,6-Dihydro-6-oxo-2-phenyl-5-pyrimidinecarboxylic acid
CID 817776
ethyl 2-(2-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 12535797
Ethyl 2-(4-chlorophenyl)-4-hydroxypyrimidine-5-carboxylate
CID 12535814
2-(2-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 12535837
2-(2-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 12535838
6-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylic acid
CID 12535858
2-[(4-chlorophenyl)methylamino]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 20460233
2-[2-(4-chlorophenyl)ethylamino]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 89880173
2-(4-Chlorophenyl)-6-hydroxypyrimidine-4-carboxylic acid
CID 135878882
6-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylic acid
CID 12535854
1-Methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid
CID 12535878
2-(4-Chlorophenyl)-4(3H)-pyrimidinone
CID 550527

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 12535857) is 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is PGNZPCAAYIFNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)9-13-5-8(11(16)17)10(15)14-9/h1-5H,(H,16,17)(H,13,14,15).
What are the key properties of 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 250.64 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 12535857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).