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

C11H6BrFN2O2 — CID 82168673

IUPAC5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2F)ncc1Br
InChIInChI=1S/C11H6BrFN2O2/c12-7-5-14-10(15-9(7)11(16)17)6-3-1-2-4-8(6)13/h1-5H,(H,16,17)
InChIKeyQNNZLRJGOMSJPX-UHFFFAOYSA-N
MW297.08 g/mol
LogP2.74
Rot. Bonds2

About 5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid

5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 82168673) has the molecular formula C11H6BrFN2O2 and a molecular weight of 297.08 g/mol. Its IUPAC name is 5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID82168673
Molecular FormulaC11H6BrFN2O2
Molecular Weight297.08 g/mol
Exact Mass295.96
IUPAC Name5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2F)ncc1Br
InChIInChI=1S/C11H6BrFN2O2/c12-7-5-14-10(15-9(7)11(16)17)6-3-1-2-4-8(6)13/h1-5H,(H,16,17)
InChIKeyQNNZLRJGOMSJPX-UHFFFAOYSA-N
XLogP2.74
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.08
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid (CID 82168673) is 5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2F)ncc1Br.
What is the InChIKey of 5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is QNNZLRJGOMSJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O2/c12-7-5-14-10(15-9(7)11(16)17)6-3-1-2-4-8(6)13/h1-5H,(H,16,17).
What are the key properties of 5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid?
5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 297.08 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-fluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82168673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).