2,5-difluoro-1H-imidazole-4-carboxylic acid

C4H2F2N2O2 — CID 583099

IUPAC2,5-difluoro-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(F)[nH]c1F
InChIInChI=1S/C4H2F2N2O2/c5-2-1(3(9)10)7-4(6)8-2/h(H,7,8)(H,9,10)
InChIKeyXLKTZKNVMAATOU-UHFFFAOYSA-N
MW148.07 g/mol
LogP0.39
Rot. Bonds1

About 2,5-difluoro-1H-imidazole-4-carboxylic acid

2,5-difluoro-1H-imidazole-4-carboxylic acid (PubChem CID 583099) has the molecular formula C4H2F2N2O2 and a molecular weight of 148.07 g/mol. Its IUPAC name is 2,5-difluoro-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-difluoro-1H-imidazole-4-carboxylic acid
PubChem CID583099
Molecular FormulaC4H2F2N2O2
Molecular Weight148.07 g/mol
Exact Mass148.01
IUPAC Name2,5-difluoro-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(F)[nH]c1F
InChIInChI=1S/C4H2F2N2O2/c5-2-1(3(9)10)7-4(6)8-2/h(H,7,8)(H,9,10)
InChIKeyXLKTZKNVMAATOU-UHFFFAOYSA-N
XLogP0.39
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.07
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2,5-difluoro-1H-imidazole-4-carboxylic acid (CID 583099) is 2,5-difluoro-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2,5-difluoro-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2,5-difluoro-1H-imidazole-4-carboxylic acid is O=C(O)c1nc(F)[nH]c1F.
What is the InChIKey of 2,5-difluoro-1H-imidazole-4-carboxylic acid?
The InChIKey is XLKTZKNVMAATOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2N2O2/c5-2-1(3(9)10)7-4(6)8-2/h(H,7,8)(H,9,10).
What are the key properties of 2,5-difluoro-1H-imidazole-4-carboxylic acid?
2,5-difluoro-1H-imidazole-4-carboxylic acid has a molecular weight of 148.07 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 583099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).