6-Methoxy-4-methylnicotinaldehyde - CAS 123506-66-1

Catalog:	BB005704
Product Name:	6-Methoxy-4-methylnicotinaldehyde
CAS:	123506-66-1
Synonyms:	6-methoxy-4-methyl-3-pyridinecarboxaldehyde; 6-methoxy-4-methylpyridine-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	6-methoxy-4-methylpyridine-3-carbaldehyde
Description:	6-Methoxy-4-methylnicotinaldehyde (CAS# 123506-66-1 ) is a useful research chemical.
Molecular Weight:	151.16
Molecular Formula:	C8H9NO2
Canonical SMILES:	CC1=CC(=NC=C1C=O)OC
InChI:	InChI=1S/C8H9NO2/c1-6-3-8(11-2)9-4-7(6)5-10/h3-5H,1-2H3
InChI Key:	DRPZNLLEUHICFW-UHFFFAOYSA-N
Boiling Point:	274.173 °C at 760 mmHg
Density:	1.123 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.21110

Publication Number	Title	Priority Date
WO-2021076890-A1	INHIBITING HUMAN INTEGRIN Î±4Î²7	20191016
WO-2021076902-A1	INHIBITING HUMAN INTEGRIN Î± 4 Î² 7	20191016
US-11104661-B1	Inhibiting human integrin (Î±-4) (Î²-7)	20191016
WO-2020127508-A1	Substituted oxopyridine derivatives	20181221
US-2019315692-A1	Antagonists of human integrin (alpha4)(beta7)	20180412

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.06332853
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	151.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1