2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C12H9FN2O3 — CID 62388939

IUPAC2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1ccc(F)cc1-c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H9FN2O3/c1-6-2-3-7(13)4-8(6)10-14-5-9(12(17)18)11(16)15-10/h2-5H,1H3,(H,17,18)(H,14,15,16)
InChIKeyLNASDNHMPXVOJD-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.58
Rot. Bonds2

About 2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 62388939) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID62388939
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1ccc(F)cc1-c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H9FN2O3/c1-6-2-3-7(13)4-8(6)10-14-5-9(12(17)18)11(16)15-10/h2-5H,1H3,(H,17,18)(H,14,15,16)
InChIKeyLNASDNHMPXVOJD-UHFFFAOYSA-N
XLogP1.58
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 62388939) is 2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is Cc1ccc(F)cc1-c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is LNASDNHMPXVOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-6-2-3-7(13)4-8(6)10-14-5-9(12(17)18)11(16)15-10/h2-5H,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62388939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).