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CAS 852180-74-6

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3-pyrimidin-5-ylbenzoic acid

Description:
3-Pyrimidin-5-ylbenzoic acid is an organic compound characterized by the presence of both a pyrimidine and a benzoic acid moiety. The structure features a pyrimidine ring, which is a six-membered aromatic heterocycle containing two nitrogen atoms at positions 1 and 3, and a benzoic acid group, which consists of a benzene ring attached to a carboxylic acid (-COOH) functional group. This compound is typically a white to off-white solid and is soluble in polar organic solvents. It exhibits properties such as moderate acidity due to the carboxylic acid group, which can participate in hydrogen bonding and influence its reactivity and interactions with biological targets. 3-Pyrimidin-5-ylbenzoic acid may be of interest in medicinal chemistry and drug development, particularly for its potential biological activities, including anti-inflammatory or antimicrobial properties. Its specific applications and behavior in various chemical environments can be further explored through experimental studies and computational modeling.
Formula:C11H8N2O2
InChI:InChI=1/C11H8N2O2/c14-11(15)9-3-1-2-8(4-9)10-5-12-7-13-6-10/h1-7H,(H,14,15)
SMILES:c1cc(cc(c1)C(=O)O)c1cncnc1
Synonyms:
  • 3-(Pyrimidin-5-yl)benzoic acid
  • Benzoic acid, 3-(5-pyrimidinyl)-
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