3-(4-fluorophenyl)imidazole-4-carboxylic acid

C10H7FN2O2 — CID 2474234

IUPAC3-(4-fluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)13-6-12-5-9(13)10(14)15/h1-6H,(H,14,15)
InChIKeyFNLCJIQJPGSGMV-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.71
Rot. Bonds2

About 3-(4-fluorophenyl)imidazole-4-carboxylic acid

3-(4-fluorophenyl)imidazole-4-carboxylic acid (PubChem CID 2474234) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 3-(4-fluorophenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)imidazole-4-carboxylic acid
PubChem CID2474234
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name3-(4-fluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)13-6-12-5-9(13)10(14)15/h1-6H,(H,14,15)
InChIKeyFNLCJIQJPGSGMV-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
Dazoquinast
CID 71146
3-Aminoimidazo[1,2-A]pyridine-2-carboxylic acid
CID 76326129
1-(3-Cyano-4-pyrrolidin-1-ylphenyl)imidazole-4-carboxylic acid
CID 162647491
Desethyl-etomidate
CID 297427
5-Methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062169
6-(Trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 27282729
1-Phenyl-1H-imidazole-4-carboxylic acid
CID 23445047
Methyl 1-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxylate
CID 2764064
1-(6-methyl-2-pyridinyl)-1H-imidazole-4-carboxylic acid
CID 1480005
1-(4-fluorophenyl)-1H-imidazole-4-carboxylic acid
CID 17390048

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)imidazole-4-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)imidazole-4-carboxylic acid (CID 2474234) is 3-(4-fluorophenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)imidazole-4-carboxylic acid is O=C(O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)imidazole-4-carboxylic acid?
The InChIKey is FNLCJIQJPGSGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)13-6-12-5-9(13)10(14)15/h1-6H,(H,14,15).
What are the key properties of 3-(4-fluorophenyl)imidazole-4-carboxylic acid?
3-(4-fluorophenyl)imidazole-4-carboxylic acid has a molecular weight of 206.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 2474234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).