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

C11H6ClFN2O3 — CID 136967064

IUPAC2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H6ClFN2O3/c12-5-1-2-7(13)6(3-5)10-14-8(11(17)18)4-9(16)15-10/h1-4H,(H,17,18)(H,14,15,16)
InChIKeyOJPGJVAPTPLNNO-UHFFFAOYSA-N
MW268.63 g/mol
LogP1.93
Rot. Bonds2

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

2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 136967064) has the molecular formula C11H6ClFN2O3 and a molecular weight of 268.63 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID136967064
Molecular FormulaC11H6ClFN2O3
Molecular Weight268.63 g/mol
Exact Mass268.01
IUPAC Name2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H6ClFN2O3/c12-5-1-2-7(13)6(3-5)10-14-8(11(17)18)4-9(16)15-10/h1-4H,(H,17,18)(H,14,15,16)
InChIKeyOJPGJVAPTPLNNO-UHFFFAOYSA-N
XLogP1.93
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.63
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 136967064) is 2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(-c2cc(Cl)ccc2F)n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is OJPGJVAPTPLNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O3/c12-5-1-2-7(13)6(3-5)10-14-8(11(17)18)4-9(16)15-10/h1-4H,(H,17,18)(H,14,15,16).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 268.63 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 136967064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).