3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid

C15H10FN3O3 — CID 123941806

IUPAC3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid
SMILESO=C(O)c1cc(F)cc(-c2nc[nH]c2-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/C15H10FN3O3/c16-11-4-9(3-10(5-11)15(21)22)14-13(18-7-19-14)8-1-2-17-12(20)6-8/h1-7H,(H,17,20)(H,18,19)(H,21,22)
InChIKeyUQZDMSZJYTZRHL-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.27
Rot. Bonds3

About 3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid

3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid (PubChem CID 123941806) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid
PubChem CID123941806
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid
SMILESO=C(O)c1cc(F)cc(-c2nc[nH]c2-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/C15H10FN3O3/c16-11-4-9(3-10(5-11)15(21)22)14-13(18-7-19-14)8-1-2-17-12(20)6-8/h1-7H,(H,17,20)(H,18,19)(H,21,22)
InChIKeyUQZDMSZJYTZRHL-UHFFFAOYSA-N
XLogP2.27
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-(6-oxo-1H-pyridazin-4-yl)benzoic acid
CID 106522840
3-(2-oxo-1H-pyridin-4-yl)benzoic acid
CID 53217736
3-[6-(3-carboxy-5-fluorophenyl)-1,2,4,5-tetrazin-3-yl]-5-(18F)fluoro(18F)benzoic acid
CID 176800034
3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid
CID 103341535
5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223813
3-fluoro-5-(6-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 106522847
4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid
CID 53227336
4-(2,4-difluorophenyl)-1H-pyridin-2-one
CID 53217672
methyl 3-fluoro-5-(5-methyl-6-oxo-1H-pyrimidin-4-yl)benzoate
CID 136770482
3-(6-bromoquinazolin-4-yl)-5-fluorobenzoic acid
CID 86732706
5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid
CID 53223804
3-[4-(carboxymethyl)phenyl]-5-fluorobenzoic acid
CID 70699869

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid?
The IUPAC name of 3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid (CID 123941806) is 3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid.
What is the SMILES notation for 3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid?
The canonical SMILES for 3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid is O=C(O)c1cc(F)cc(-c2nc[nH]c2-c2cc[nH]c(=O)c2)c1.
What is the InChIKey of 3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid?
The InChIKey is UQZDMSZJYTZRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-11-4-9(3-10(5-11)15(21)22)14-13(18-7-19-14)8-1-2-17-12(20)6-8/h1-7H,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid?
3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid has a molecular weight of 299.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid is sourced from PubChem (CID 123941806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).