Methyl 6-Chloropyridazine-4-carboxylate - CAS 1093860-48-0

Catalog:	BB002452
Product Name:	Methyl 6-Chloropyridazine-4-carboxylate
CAS:	1093860-48-0
Synonyms:	6-chloro-4-pyridazinecarboxylic acid methyl ester; methyl 6-chloropyridazine-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 6-chloropyridazine-4-carboxylate
Description:	Methyl 6-Chloropyridazine-4-carboxylate (CAS# 1093860-48-0) is a useful research chemical.
Molecular Weight:	172.57
Molecular Formula:	C6H5ClN2O2
Canonical SMILES:	COC(=O)C1=CC(=NN=C1)Cl
InChI:	InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-5(7)9-8-3-4/h2-3H,1H3
InChI Key:	QYQHGLKSLGUINZ-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD16660968
LogP:	0.91660

Publication Number	Title	Priority Date
WO-2021134004-A1	Cyclic compounds and methods of using same	20191227
WO-2021126999-A1	Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor	20191217
US-2020347052-A1	Inhibitors of raf kinases	20190503
WO-2020227020-A1	Inhibitors of raf kinases	20190503
US-10927111-B2	Inhibitors of RAF kinases	20190503

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0039551
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.0039551
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7