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

C11H7FN2O2 — CID 66525268

IUPAC2-(2-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccc2F)n1
InChIInChI=1S/C11H7FN2O2/c12-8-4-2-1-3-7(8)10-13-6-5-9(14-10)11(15)16/h1-6H,(H,15,16)
InChIKeyBQUILVNZMAUYKL-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.98
Rot. Bonds2

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

2-(2-fluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 66525268) has the molecular formula C11H7FN2O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is 2-(2-fluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID66525268
Molecular FormulaC11H7FN2O2
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name2-(2-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccc2F)n1
InChIInChI=1S/C11H7FN2O2/c12-8-4-2-1-3-7(8)10-13-6-5-9(14-10)11(15)16/h1-6H,(H,15,16)
InChIKeyBQUILVNZMAUYKL-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 2-(2-fluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)pyrimidine-4-carboxylic acid (CID 66525268) is 2-(2-fluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is BQUILVNZMAUYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2/c12-8-4-2-1-3-7(8)10-13-6-5-9(14-10)11(15)16/h1-6H,(H,15,16).
What are the key properties of 2-(2-fluorophenyl)pyrimidine-4-carboxylic acid?
2-(2-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 2-(2-fluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 66525268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).