6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid

C12H9FN2O2 — CID 71282761

IUPAC6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)ncn2)cc1F
InChIInChI=1S/C12H9FN2O2/c1-7-2-3-8(4-9(7)13)10-5-11(12(16)17)15-6-14-10/h2-6H,1H3,(H,16,17)
InChIKeyFMYASDAPHJQSDM-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.29
Rot. Bonds2

About 6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid

6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid (PubChem CID 71282761) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
PubChem CID71282761
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)ncn2)cc1F
InChIInChI=1S/C12H9FN2O2/c1-7-2-3-8(4-9(7)13)10-5-11(12(16)17)15-6-14-10/h2-6H,1H3,(H,16,17)
InChIKeyFMYASDAPHJQSDM-UHFFFAOYSA-N
XLogP2.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid (CID 71282761) is 6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)ncn2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is FMYASDAPHJQSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-7-2-3-8(4-9(7)13)10-5-11(12(16)17)15-6-14-10/h2-6H,1H3,(H,16,17).
What are the key properties of 6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid?
6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 232.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 71282761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).