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

C11H7FN2O3 — CID 81345873

IUPAC4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2F)nc(=O)[nH]1
InChIInChI=1S/C11H7FN2O3/c12-7-4-2-1-3-6(7)8-5-9(10(15)16)14-11(17)13-8/h1-5H,(H,15,16)(H,13,14,17)
InChIKeyGVWJOHZWXQKDQP-UHFFFAOYSA-N
MW234.19 g/mol
LogP1.27
Rot. Bonds2

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

4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 81345873) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
PubChem CID81345873
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2F)nc(=O)[nH]1
InChIInChI=1S/C11H7FN2O3/c12-7-4-2-1-3-6(7)8-5-9(10(15)16)14-11(17)13-8/h1-5H,(H,15,16)(H,13,14,17)
InChIKeyGVWJOHZWXQKDQP-UHFFFAOYSA-N
XLogP1.27
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid (CID 81345873) is 4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1cc(-c2ccccc2F)nc(=O)[nH]1.
What is the InChIKey of 4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is GVWJOHZWXQKDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-7-4-2-1-3-6(7)8-5-9(10(15)16)14-11(17)13-8/h1-5H,(H,15,16)(H,13,14,17).
What are the key properties of 4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 234.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 81345873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).