7-(Hydroxymethyl)-1,8-naphthyridin-2(1H)-one - CAS 1189541-54-5

Catalog:	BB056291
Product Name:	7-(Hydroxymethyl)-1,8-naphthyridin-2(1H)-one
CAS:	1189541-54-5
Synonyms:	7-(Hydroxymethyl)-1,8-naphthyridin-2(1H)-one; 7-(hydroxymethyl)-1,2-dihydro-1,8-naphthyridin-2-one

Technical Data

IUPAC Name:	7-(hydroxymethyl)-1H-1,8-naphthyridin-2-one
Description:	7-(Hydroxymethyl)-1,8-naphthyridin-2(1H)-one is used as a reactant in the synthesis of photoswitchable unsymetrical ligands possessing pairs of different base recognition elements for DNA hetero-mismatches.
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	C1=CC(=NC2=C1C=CC(=O)N2)CO
InChI:	InChI=1S/C9H8N2O2/c12-5-7-3-1-6-2-4-8(13)11-9(6)10-7/h1-4,12H,5H2,(H,10,11,13)
InChI Key:	CDXNQKAZCVFTEI-UHFFFAOYSA-N
Melting Point:	>125°C (dec.)
Solubility:	Dichloromethane (Slightly), Methanol (Slightly)
Appearance:	Pale Yellow to Dark Yellow Solid
Storage:	-20°C Freezer, Under inert atmosphere
References:	Dohno, C., et al. Eur. J. Org. Chem., 1, 4051 (2009).

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.058577502
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3