3-Chloro-6-cyanopyridazine - CAS 35857-89-7

Catalog:	BB022774
Product Name:	3-Chloro-6-cyanopyridazine
CAS:	35857-89-7
Synonyms:	6-chloro-3-pyridazinecarbonitrile; 6-chloropyridazine-3-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-chloropyridazine-3-carbonitrile
Description:	3-Chloro-6-cyanopyridazine (CAS# 35857-89-7) is a reactant in the synthesis of spiropiperidine-based stearoyl-CoA desaturase-1 inhibitors.
Molecular Weight:	139.54
Molecular Formula:	C5H2ClN3
Canonical SMILES:	C1=CC(=NN=C1C#N)Cl
InChI:	InChI=1S/C5H2ClN3/c6-5-2-1-4(3-7)8-9-5/h1-2H
InChI Key:	YMUOLGNUZURDEW-UHFFFAOYSA-N
Boiling Point:	335.1 °C at 760 mmHg
Density:	1.43 g/cm³
MDL:	MFCD09835352
LogP:	1.00168

Publication Number	Title	Priority Date
CN-113200983-A	Compound with pyrrolopyridine structure, preparation method and medical application	20210522
WO-2021194914-A1	Substituted oxoisoindoline compounds for the treatment of cancer	20200323
WO-2021123291-A1	Oga inhibitor compounds	20191218
WO-2021126973-A1	Compounds modulating protein recruitment and/or degradation	20191217
WO-2021012018-A1	Inhibitor compounds	20190724

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Related Functional Groups

Nitrogen Compounds

[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
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.9937248
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.9937248
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9