1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid

C11H7FN2O3 — CID 137153602

IUPAC1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H7FN2O3/c12-7-1-3-8(4-2-7)14-6-13-5-9(10(14)15)11(16)17/h1-6H,(H,16,17)
InChIKeyUBPISCXGNRYZLN-UHFFFAOYSA-N
MW234.19 g/mol
LogP1.07
Rot. Bonds2

About 1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid

1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid (PubChem CID 137153602) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid
PubChem CID137153602
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H7FN2O3/c12-7-1-3-8(4-2-7)14-6-13-5-9(10(14)15)11(16)17/h1-6H,(H,16,17)
InChIKeyUBPISCXGNRYZLN-UHFFFAOYSA-N
XLogP1.07
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid (CID 137153602) is 1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid is O=C(O)c1cncn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid?
The InChIKey is UBPISCXGNRYZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-7-1-3-8(4-2-7)14-6-13-5-9(10(14)15)11(16)17/h1-6H,(H,16,17).
What are the key properties of 1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid?
1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid has a molecular weight of 234.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 137153602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).