2-Chloro-5-methyl-6-phenylnicotinaldehyde - CAS 876345-31-2

Catalog:	BB038565
Product Name:	2-Chloro-5-methyl-6-phenylnicotinaldehyde
CAS:	876345-31-2
Synonyms:	2-chloro-5-methyl-6-phenyl-3-pyridinecarboxaldehyde; 2-chloro-5-methyl-6-phenylpyridine-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-5-methyl-6-phenylpyridine-3-carbaldehyde
Description:	2-Chloro-5-methyl-6-phenylnicotinaldehyde (CAS# 876345-31-2) is a useful research chemical.
Molecular Weight:	231.68
Molecular Formula:	C13H10ClNO
Canonical SMILES:	CC1=C(N=C(C(=C1)C=O)Cl)C2=CC=CC=C2
InChI:	InChI=1S/C13H10ClNO/c1-9-7-11(8-16)13(14)15-12(9)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:	UYPSBTYRVUBXES-UHFFFAOYSA-N
LogP:	3.52290

Publication Number	Title	Priority Date
EP-1924558-A1	An antimalarial baylis-hillman adducts and a process for the preparation thereof	20050912
EP-1924558-B1	An antimalarial baylis-hillman adducts and a process for the preparation thereof	20050912
JP-2009507824-A	Antimalarial Bayris-Hillman adduct and method for preparing the same	20050912
US-2007117822-A1	Novel antimalarial baylis-hillman adducts and a process for the preparation thereof	20050912
US-7666883-B2	Antimalarial Baylis-Hillman adducts and a process for the preparation thereof	20050912

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Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.0450916
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.0450916
Rotatable Bond Count:	2
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3