4,6-Dimethylnicotinonitrile - CAS 6623-21-8

Catalog:	BB032941
Product Name:	4,6-Dimethylnicotinonitrile
CAS:	6623-21-8
Synonyms:	4,6-dimethyl-3-pyridinecarbonitrile; 4,6-dimethylpyridine-3-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4,6-dimethylpyridine-3-carbonitrile
Description:	4,6-Dimethylnicotinonitrile (CAS# 6623-21-8) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C8H8N2
Canonical SMILES:	CC1=CC(=NC=C1C#N)C
InChI:	InChI=1S/C8H8N2/c1-6-3-7(2)10-5-8(6)4-9/h3,5H,1-2H3
InChI Key:	BZIDYPIJVCEUIB-UHFFFAOYSA-N
Boiling Point:	250.6 °C at 760 mmHg
Density:	1.05 g/cm³
LogP:	1.57008

Publication Number	Title	Priority Date
CN-110036009-A	The pyrrolidines being substituted and its purposes in treatment cystic fibrosis	20161007
WO-2018029288-A1	Sulfonyl pyridyl trp inhibitors	20160812
CN-109641898-A	For treat nerve and neurodegenerative disease 5,7- dihydro-pyrrole simultaneously-pyridine derivate	20160701
AU-2017281228-A1	Positive allosteric modulators of the muscarinic acetylcholine receptor M4	20160622
AU-2016342309-A1	Ferroportin inhibitors	20151023

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.068748264
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3