1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid

C8H5FN4O2 — CID 104606538

IUPAC1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ncc(F)cn2)cn1
InChIInChI=1S/C8H5FN4O2/c9-5-1-10-8(11-2-5)13-3-6(7(14)15)12-4-13/h1-4H,(H,14,15)
InChIKeyWUCFLEBBOMTGQV-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.50
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid

1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid (PubChem CID 104606538) has the molecular formula C8H5FN4O2 and a molecular weight of 208.15 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid
PubChem CID104606538
Molecular FormulaC8H5FN4O2
Molecular Weight208.15 g/mol
Exact Mass208.04
IUPAC Name1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ncc(F)cn2)cn1
InChIInChI=1S/C8H5FN4O2/c9-5-1-10-8(11-2-5)13-3-6(7(14)15)12-4-13/h1-4H,(H,14,15)
InChIKeyWUCFLEBBOMTGQV-UHFFFAOYSA-N
XLogP0.50
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid (CID 104606538) is 1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid is O=C(O)c1cn(-c2ncc(F)cn2)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid?
The InChIKey is WUCFLEBBOMTGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O2/c9-5-1-10-8(11-2-5)13-3-6(7(14)15)12-4-13/h1-4H,(H,14,15).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid has a molecular weight of 208.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 104606538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).