2,6-dichloroisonicotinamide - CAS 89281-13-0

Name: 2,6-dichloroisonicotinamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039399
Product Name:	2,6-dichloroisonicotinamide
CAS:	89281-13-0
Synonyms:	2,6-dichloro-4-pyridinecarboxamide; 2,6-dichloropyridine-4-carboxamide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,6-dichloropyridine-4-carboxamide
Description:	2,6-dichloroisonicotinamide (CAS# 89281-13-0) is a useful research chemical.
Molecular Weight:	191.01
Molecular Formula:	C6H4Cl2N2O
Canonical SMILES:	C1=C(C=C(N=C1Cl)Cl)C(=O)N
InChI:	InChI=1S/C6H4Cl2N2O/c7-4-1-3(6(9)11)2-5(8)10-4/h1-2H,(H2,9,11)
InChI Key:	CFYBBFGXTQBLQV-UHFFFAOYSA-N
Boiling Point:	168-171 °C / 1 mmHg
Melting Point:	202 °C
Purity:	95 %
Density:	1.524 g/cm³
Appearance:	Solid
MDL:	MFCD00052640
LogP:	2.18760

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020054531-A1	Plant disease control agent	20180914
TW-202021951-A	Plant disease control agent	20180914
EP-3463359-A1	Trace amine associated receptor 1 agonists and partial agonists for pain treatment	20160602
WO-2017210616-A1	Trace amine associated receptor 1 agonists and partial agonists for pain treatment	20160602
WO-2011110575-A1	Derivatives of 2-[2-(benzo- or pyrido-) thiazolylamino]-6-aminopyridine, useful in the treatment of respiratoric, allergic or inflammatory diseases	20100311

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9700681
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.9700681
Rotatable Bond Count:	1
Topological Polar Surface Area:	56 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9