1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid

C11H8N2O4 — CID 174849997

IUPAC1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(O)c(-c2ccccc2)nc1=O
InChIInChI=1S/C11H8N2O4/c14-10-8(11(15)16)6-13(17)9(12-10)7-4-2-1-3-5-7/h1-6,17H,(H,15,16)
InChIKeyJPFXHMSYOFXXKP-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.85
Rot. Bonds2

About 1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid

1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid (PubChem CID 174849997) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid
PubChem CID174849997
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(O)c(-c2ccccc2)nc1=O
InChIInChI=1S/C11H8N2O4/c14-10-8(11(15)16)6-13(17)9(12-10)7-4-2-1-3-5-7/h1-6,17H,(H,15,16)
InChIKeyJPFXHMSYOFXXKP-UHFFFAOYSA-N
XLogP0.85
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid (CID 174849997) is 1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid is O=C(O)c1cn(O)c(-c2ccccc2)nc1=O.
What is the InChIKey of 1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid?
The InChIKey is JPFXHMSYOFXXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-10-8(11(15)16)6-13(17)9(12-10)7-4-2-1-3-5-7/h1-6,17H,(H,15,16).
What are the key properties of 1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid?
1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 174849997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).