4-(Pyridin-3-ylmethoxy)benzaldehyde - CAS 118001-72-2

Catalog:	BB004042
Product Name:	4-(Pyridin-3-ylmethoxy)benzaldehyde
CAS:	118001-72-2
Synonyms:	4-(3-pyridinylmethoxy)benzaldehyde; 4-(pyridin-3-ylmethoxy)benzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(pyridin-3-ylmethoxy)benzaldehyde
Description:	4-(Pyridin-3-ylmethoxy)benzaldehyde (CAS# 118001-72-2) is a useful research chemical.
Molecular Weight:	213.23
Molecular Formula:	C13H11NO2
Canonical SMILES:	C1=CC(=CN=C1)COC2=CC=C(C=C2)C=O
InChI:	InChI=1S/C13H11NO2/c15-9-11-3-5-13(6-4-11)16-10-12-2-1-7-14-8-12/h1-9H,10H2
InChI Key:	OZLAHUVAOGTVKY-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.47310

Publication Number	Title	Priority Date
EP-2651413-A1	Novel inhibitors of matrix metalloproteinases	20101217
EP-2651413-B1	Novel inhibitors of matrix metalloproteinases	20101217
JP-2014503529-A	Novel matrix metalloproteinase inhibitor	20101217
US-2013303572-A1	Novel inhibitors of matrix metalloproteinases	20101217
US-9487462-B2	Inhibitors of matrix metalloproteinases	20101217

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.078978594
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.078978594
Rotatable Bond Count:	4
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8