Pyridin-3-ylacetaldehyde - CAS 42545-63-1

Catalog:	BB057951
Product Name:	Pyridin-3-ylacetaldehyde
CAS:	42545-63-1
Synonyms:	2-(Pyridin-3-yl)acetaldehyde; 3-Pyridylacetaldehyde; α-(Pyridin-3-yl)acetaldehyde

Technical Data

IUPAC Name:	2-pyridin-3-ylacetaldehyde
Description:	Pyridin-3-ylacetaldehyde is a reagent used in the preparation of a series of platelet derived growth factor receptor tyrosine kinase (PDGF-RTK) inhibitor. Also, it is an intermediate used in the synthesis of Pyridin-3-ylacetaldehyde Sodium Salt (P991755), which is used in the synthesis of CB1/CB2 agonist that can be applied to the treatment of chronic pain. Used in the synthesis of 3-Substituted quinoline derivatives.
Molecular Weight:	121.14
Molecular Formula:	C7H7NO
Canonical SMILES:	C1=CC(=CN=C1)CC=O
InChI:	InChI=1S/C7H7NO/c9-5-3-7-2-1-4-8-6-7/h1-2,4-6H,3H2
InChI Key:	MJUHIAWSJRKXSH-UHFFFAOYSA-N
References:	Maguire, M. P., et al. J. Med. Chem., 37, 2129-2137 (1994); Cheng, Y. et al. Bioorg. Med. Chem. Lett., 22, 1619 (2012); Maguire, M. et al. J. Med. Chem., 37, 2129 (1994).

Complexity:	92.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	121.052763847
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	121.052763847
Rotatable Bond Count:	2
Topological Polar Surface Area:	30Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3