5-Formyl-2-hydroxybenzamide - CAS 76143-20-9

Technical Data

IUPAC Name:	5-formyl-2-hydroxybenzamide
Description:	5-Formyl-2-hydroxybenzamide can be useful in the preparation of unsaturated cinnamate ester benzamides as inhibitors of rhinovirus 3C protease. It can be useful in the synthesis, characterization and antimicrobial evaluation of lipid based norfloxacin prodrug. It can also be useful in the preparation of arylmorpholines as potential dopamine D3 receptor agonists.
Molecular Weight:	165.15
Molecular Formula:	C8H7NO3
Canonical SMILES:	C1=CC(=C(C=C1C=O)C(=O)N)O
InChI:	InChI=1S/C8H7NO3/c9-8(12)6-3-5(4-10)1-2-7(6)11/h1-4,11H,(H2,9,12)
InChI Key:	UIFAWCVGHFXLDS-UHFFFAOYSA-N
Melting Point:	195 - 197°C
Solubility:	Acetone (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C, Inert atmosphere
References:	Reich, S. H., et al. J. Med. Chem., 43, 1670 (2000); Sharma, P. C., et al. Curr. Drug Delivery, 15, 219 (2018); Blagg, J., et al. Bioorg. Med. Chem. Lett., 17, 6691 (2007).

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.042593085
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4