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

C8H5FN4O2 — CID 130610001

IUPAC1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1-c1ncc(F)cn1
InChIInChI=1S/C8H5FN4O2/c9-5-3-11-8(12-4-5)13-2-1-10-6(13)7(14)15/h1-4H,(H,14,15)
InChIKeyWJBRDOIIDBJKMP-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.50
Rot. Bonds2

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

1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid (PubChem CID 130610001) has the molecular formula C8H5FN4O2 and a molecular weight of 208.15 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid
PubChem CID130610001
Molecular FormulaC8H5FN4O2
Molecular Weight208.15 g/mol
Exact Mass208.04
IUPAC Name1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1-c1ncc(F)cn1
InChIInChI=1S/C8H5FN4O2/c9-5-3-11-8(12-4-5)13-2-1-10-6(13)7(14)15/h1-4H,(H,14,15)
InChIKeyWJBRDOIIDBJKMP-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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Related Compounds

Methyl 8-fluoroimidazo[1,2-c]pyrimidine-5-carboxylate
CID 176316053
2-[Pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257930
2-[Imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258104
4-[4-(2-Fluoroethyl)piperazin-1-yl]pyrimidine-2-carboxylic acid
CID 168018865
1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 56866095
4-(4,5-Dihydroimidazol-1-yl)pyrimidine-2-carboxylic acid
CID 21753041
1H-imidazole;pyrimidine-2-carboxylic acid
CID 67205002
(2-Pyrimidin-2-yl-imidazol-1-yl)-acetic Acid Methyl Ester
CID 69558628
Imidazo[1,5-a]pyrazine-3-carboxylic acid
CID 83387185
4-(Pyrrolidin-1-yl)pyrimidine-2-carboxylic acid
CID 84014534
4-Imidazol-1-ylpyrimidine-2-carboxylic acid
CID 84062241
1-Pyrimidin-2-ylimidazole-2-carboxylic acid
CID 130640830

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid (CID 130610001) is 1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid is O=C(O)c1nccn1-c1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid?
The InChIKey is WJBRDOIIDBJKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O2/c9-5-3-11-8(12-4-5)13-2-1-10-6(13)7(14)15/h1-4H,(H,14,15).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)imidazole-2-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)imidazole-2-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-2-carboxylic acid is sourced from PubChem (CID 130610001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).