2,6-Dichloro-4-(o-tolyl)nicotinonitrile - CAS 873443-66-4

Name: 2,6-Dichloro-4-(o-tolyl)nicotinonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038390
Product Name:	2,6-Dichloro-4-(o-tolyl)nicotinonitrile
CAS:	873443-66-4
Synonyms:	2,6-dichloro-4-(2-methylphenyl)-3-pyridinecarbonitrile; 2,6-dichloro-4-(2-methylphenyl)pyridine-3-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2,6-dichloro-4-(2-methylphenyl)pyridine-3-carbonitrile
Description:	2,6-Dichloro-4-(o-tolyl)nicotinonitrile (CAS# 873443-66-4 ) is a useful research chemical.
Molecular Weight:	263.12
Molecular Formula:	C13H8Cl2N2
Canonical SMILES:	CC1=CC=CC=C1C2=CC(=NC(=C2C#N)Cl)Cl
InChI:	InChI=1S/C13H8Cl2N2/c1-8-4-2-3-5-9(8)10-6-12(14)17-13(15)11(10)7-16/h2-6H,1H3
InChI Key:	HDFNZYMPHSNNQC-UHFFFAOYSA-N
LogP:	4.23548

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Related Functional Groups

Nitrogen Compounds

[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[7492-88-8]C6H10N2
3-piperidinecarbonitrile
[1256633-32-5]C5HN3O
4,5-Isoxazoledicarbonitrile
[938001-63-9]C11H12ClN3
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline

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Publication Number	Title	Priority Date
CA-2572645-C	Process for preparing carboxamide derivatives used as intermediates in the synthesis of nk-1 receptor antagonists	20040706
EP-1776342-A1	Process for preparing carboxamide pyridine derivatives used as intermediates in the synthesis of nk-1 receptor antagonists	20040706
EP-1776342-B1	Process for preparing carboxamide pyridine derivatives used as intermediates in the synthesis of nk-1 receptor antagonists	20040706
ES-2359722-T3	PROCESS OF OBTAINING PIRIDINE-CARBOXAMIDE DERIVATIVES AS INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF ANTAGONISTS OF NK1 RECEPTORS.	20040706
JP-2008505859-A	Method for producing carboxamide derivative used as intermediate in synthesis of NK-1 receptor antagonist	20040706

Complexity:	312
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.0064537
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	262.0064537
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5