5-(4-Methylphenyl)-3-pyridinecarbaldehyde - CAS 229008-16-6

Catalog:	BB017799
Product Name:	5-(4-Methylphenyl)-3-pyridinecarbaldehyde
CAS:	229008-16-6
Synonyms:	5-(4-methylphenyl)-3-pyridinecarboxaldehyde; 5-(4-methylphenyl)pyridine-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(4-methylphenyl)pyridine-3-carbaldehyde
Description:	5-(4-Methylphenyl)-3-pyridinecarbaldehyde (CAS# 229008-16-6) is a useful research chemical.
Molecular Weight:	197.23
Molecular Formula:	C13H11NO
Canonical SMILES:	CC1=CC=C(C=C1)C2=CC(=CN=C2)C=O
InChI:	InChI=1S/C13H11NO/c1-10-2-4-12(5-3-10)13-6-11(9-15)7-14-8-13/h2-9H,1H3
InChI Key:	ANPGUJZUWRYNKV-UHFFFAOYSA-N
Appearance:	Light gray powder
LogP:	2.86950

Publication Number	Title	Priority Date
WO-2011094890-A1	Phenylalanine derivatives and their use as non-peptide glp-1 receptor modulators	20100202
DE-69837346-T2	Anilide derivatives, their preparation and their use	19971219
EP-1039899-A2	Pharmaceutical composition for antagonizing ccr5 comprising anilide derivative	19971219
EP-1040103-A1	Anilide derivative, production and use thereof	19971219
EP-1040103-B1	Anilide derivative, production and use thereof	19971219

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Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.084063974
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	197.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3