1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid

C10H6BrFN2O2 — CID 107639020

IUPAC1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cc(F)ccc2Br)cn1
InChIInChI=1S/C10H6BrFN2O2/c11-7-2-1-6(12)3-9(7)14-4-8(10(15)16)13-5-14/h1-5H,(H,15,16)
InChIKeyIPNKKSCEUMAXDB-UHFFFAOYSA-N
MW285.07 g/mol
LogP2.47
Rot. Bonds2

About 1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid

1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid (PubChem CID 107639020) has the molecular formula C10H6BrFN2O2 and a molecular weight of 285.07 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid
PubChem CID107639020
Molecular FormulaC10H6BrFN2O2
Molecular Weight285.07 g/mol
Exact Mass283.96
IUPAC Name1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cc(F)ccc2Br)cn1
InChIInChI=1S/C10H6BrFN2O2/c11-7-2-1-6(12)3-9(7)14-4-8(10(15)16)13-5-14/h1-5H,(H,15,16)
InChIKeyIPNKKSCEUMAXDB-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-fluoro-2-nitrophenyl)imidazole-4-carboxylic acid
CID 116739681
1-(2,3-difluorophenyl)imidazole-4-carboxylic acid
CID 62057993
1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid
CID 104606538
1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid
CID 107645974
1-(5-bromo-2-nitrophenyl)imidazole-4-carboxylic acid
CID 65343542
1-(2-chlorophenyl)imidazole-4-carboxylic acid
CID 62058406
1-(3-bromo-4-cyanophenyl)imidazole-4-carboxylic acid
CID 107281325
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid
CID 79718030
1-(4-cyano-3-fluorophenyl)imidazole-4-carboxylic acid
CID 71564615
1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid
CID 134530736
2-[1-(2-bromo-5-fluorophenyl)triazol-4-yl]acetic acid
CID 107626227
1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid
CID 56767648

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid (CID 107639020) is 1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid is O=C(O)c1cn(-c2cc(F)ccc2Br)cn1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid?
The InChIKey is IPNKKSCEUMAXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2/c11-7-2-1-6(12)3-9(7)14-4-8(10(15)16)13-5-14/h1-5H,(H,15,16).
What are the key properties of 1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid?
1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid has a molecular weight of 285.07 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 107639020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).