3-Hydroxy-6-methylpyridine-2-carbaldehyde - CAS 66497-42-5

Catalog:	BB033044
Product Name:	3-Hydroxy-6-methylpyridine-2-carbaldehyde
CAS:	66497-42-5
Synonyms:	3-hydroxy-6-methyl-2-pyridinecarboxaldehyde; 3-hydroxy-6-methylpyridine-2-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3-hydroxy-6-methylpyridine-2-carbaldehyde
Description:	3-Hydroxy-6-methylpyridine-2-carbaldehyde (CAS# 66497-42-5) is a useful research chemical.
Molecular Weight:	137.14
Molecular Formula:	C7H7NO2
Canonical SMILES:	CC1=NC(=C(C=C1)O)C=O
InChI:	InChI=1S/C7H7NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-4,10H,1H3
InChI Key:	RDQQJPSVWVFAJK-UHFFFAOYSA-N
Boiling Point:	283.596 °C at 760 mmHg
Density:	1.258 g/cm³
LogP:	0.90810

Publication Number	Title	Priority Date
WO-2020163704-A1	Polyvalent derivatives of emoxypine	20190207
AU-2014237348-A1	Compounds and uses thereof for the modulation of hemoglobin	20130315
AU-2014237348-B2	Compounds and uses thereof for the modulation of hemoglobin	20130315
AU-2014237348-C1	Compounds and uses thereof for the modulation of hemoglobin	20130315
AU-2018260809-B2	Compounds and uses thereof for the modulation of hemoglobin	20130315

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Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.047678466
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	137.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2