1-(2,3-difluorophenyl)imidazole-4-carboxylic acid

C10H6F2N2O2 — CID 62057993

IUPAC1-(2,3-difluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc(F)c2F)cn1
InChIInChI=1S/C10H6F2N2O2/c11-6-2-1-3-8(9(6)12)14-4-7(10(15)16)13-5-14/h1-5H,(H,15,16)
InChIKeyGGTSZXAQZRBXKL-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.85
Rot. Bonds2

About 1-(2,3-difluorophenyl)imidazole-4-carboxylic acid

1-(2,3-difluorophenyl)imidazole-4-carboxylic acid (PubChem CID 62057993) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)imidazole-4-carboxylic acid
PubChem CID62057993
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name1-(2,3-difluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc(F)c2F)cn1
InChIInChI=1S/C10H6F2N2O2/c11-6-2-1-3-8(9(6)12)14-4-7(10(15)16)13-5-14/h1-5H,(H,15,16)
InChIKeyGGTSZXAQZRBXKL-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)imidazole-4-carboxylic acid
CID 62058406
1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone
CID 118600908
1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid
CID 107645974
1-(3-chloro-2,6-difluorophenyl)imidazole-4-carboxylic acid
CID 71255690
1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid
CID 107639020
1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid
CID 151593948
1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid
CID 104606538
ethyl 1-(2-fluorophenyl)imidazole-4-carboxylate
CID 154325147
1-(4-cyano-3-fluorophenyl)imidazole-4-carboxylic acid
CID 71564615
1-cinnolin-4-ylimidazole-4-carboxylic acid
CID 63586408
2-[1-(2-fluorophenyl)imidazol-4-yl]acetic acid
CID 82472522
1-(5-bromo-4-fluoro-2-nitrophenyl)imidazole-4-carboxylic acid
CID 116739681

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(2,3-difluorophenyl)imidazole-4-carboxylic acid (CID 62057993) is 1-(2,3-difluorophenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,3-difluorophenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(2,3-difluorophenyl)imidazole-4-carboxylic acid is O=C(O)c1cn(-c2cccc(F)c2F)cn1.
What is the InChIKey of 1-(2,3-difluorophenyl)imidazole-4-carboxylic acid?
The InChIKey is GGTSZXAQZRBXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-6-2-1-3-8(9(6)12)14-4-7(10(15)16)13-5-14/h1-5H,(H,15,16).
What are the key properties of 1-(2,3-difluorophenyl)imidazole-4-carboxylic acid?
1-(2,3-difluorophenyl)imidazole-4-carboxylic acid has a molecular weight of 224.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 62057993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).