3,6-dichloropyridazine-4-carboxamide - CAS 27427-66-3

Catalog:	BB019568
Product Name:	3,6-dichloropyridazine-4-carboxamide
CAS:	27427-66-3
Synonyms:	3,6-dichloro-4-pyridazinecarboxamide; 3,6-dichloropyridazine-4-carboxamide

Technical Data

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Computed Properties

IUPAC Name:	3,6-dichloropyridazine-4-carboxamide
Description:	3,6-dichloropyridazine-4-carboxamide (CAS# 27427-66-3) is a useful research chemical.
Molecular Weight:	191.999
Molecular Formula:	C5H3Cl2N3O
Canonical SMILES:	C1=C(C(=NN=C1Cl)Cl)C(=O)N
InChI:	InChI=1S/C5H3Cl2N3O/c6-3-1-2(5(8)11)4(7)10-9-3/h1H,(H2,8,11)
InChI Key:	NXVUUPORAZUSGG-UHFFFAOYSA-N
Boiling Point:	366.3 °C at 760 mmHg
Density:	1.62 g/cm³
LogP:	1.58260

Publication Number	Title	Priority Date
WO-2017133665-A1	6,7-diazaindazole and 6,7-diazaindole derivatives and use in treatment, amelioration or prevention of influenza thereof	20160205
WO-2017133667-A1	Pyrimidine and pyridine derivatives and use in treatment, amelioration or prevention of influenza thereof	20160205
CA-2934010-A1	N-acylpiperidine ether tropomyosin-related kinase inhibitors	20131220
EP-3083602-A1	N-acylpiperidine ether tropomyosin-related kinase inhibitors	20131220
US-2017305857-A1	N-acylpiperidine ether tropomyosin-related kinase inhibitors	20131220

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Related Functional Groups

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[34231-77-1]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.9653171
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.9653171
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6