6-(3-fluorophenyl)pyrimidine-4-carboxylic acid

C11H7FN2O2 — CID 67218312

IUPAC6-(3-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(F)c2)ncn1
InChIInChI=1S/C11H7FN2O2/c12-8-3-1-2-7(4-8)9-5-10(11(15)16)14-6-13-9/h1-6H,(H,15,16)
InChIKeyZGXPPUYTEIKGNT-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.98
Rot. Bonds2

About 6-(3-fluorophenyl)pyrimidine-4-carboxylic acid

6-(3-fluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 67218312) has the molecular formula C11H7FN2O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is 6-(3-fluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID67218312
Molecular FormulaC11H7FN2O2
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name6-(3-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(F)c2)ncn1
InChIInChI=1S/C11H7FN2O2/c12-8-3-1-2-7(4-8)9-5-10(11(15)16)14-6-13-9/h1-6H,(H,15,16)
InChIKeyZGXPPUYTEIKGNT-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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(3-fluorophenyl)pyrimidine-4-carboxylic acid (CID 67218312) is 6-(3-fluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(3-fluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(3-fluorophenyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(-c2cccc(F)c2)ncn1.
What is the InChIKey of 6-(3-fluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is ZGXPPUYTEIKGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2/c12-8-3-1-2-7(4-8)9-5-10(11(15)16)14-6-13-9/h1-6H,(H,15,16).
What are the key properties of 6-(3-fluorophenyl)pyrimidine-4-carboxylic acid?
6-(3-fluorophenyl)pyrimidine-4-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 6-(3-fluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 67218312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).