4-(3-fluorophenyl)pyrimidine-2-carboxylic acid

C11H7FN2O2 — CID 82661260

IUPAC4-(3-fluorophenyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H7FN2O2/c12-8-3-1-2-7(6-8)9-4-5-13-10(14-9)11(15)16/h1-6H,(H,15,16)
InChIKeyPIZXQPPGZVQJQK-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.98
Rot. Bonds2

About 4-(3-fluorophenyl)pyrimidine-2-carboxylic acid

4-(3-fluorophenyl)pyrimidine-2-carboxylic acid (PubChem CID 82661260) has the molecular formula C11H7FN2O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is 4-(3-fluorophenyl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)pyrimidine-2-carboxylic acid
PubChem CID82661260
Molecular FormulaC11H7FN2O2
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name4-(3-fluorophenyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H7FN2O2/c12-8-3-1-2-7(6-8)9-4-5-13-10(14-9)11(15)16/h1-6H,(H,15,16)
InChIKeyPIZXQPPGZVQJQK-UHFFFAOYSA-N
XLogP1.98
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluorophenyl)pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)pyrimidine-2-carboxylic acid (CID 82661260) is 4-(3-fluorophenyl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)pyrimidine-2-carboxylic acid is O=C(O)c1nccc(-c2cccc(F)c2)n1.
What is the InChIKey of 4-(3-fluorophenyl)pyrimidine-2-carboxylic acid?
The InChIKey is PIZXQPPGZVQJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2/c12-8-3-1-2-7(6-8)9-4-5-13-10(14-9)11(15)16/h1-6H,(H,15,16).
What are the key properties of 4-(3-fluorophenyl)pyrimidine-2-carboxylic acid?
4-(3-fluorophenyl)pyrimidine-2-carboxylic acid has a molecular weight of 218.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 82661260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).