6-Chloro-N,N-dimethylnicotinamide - CAS 54864-83-4

Name: 6-Chloro-N,N-dimethylnicotinamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028837
Product Name:	6-Chloro-N,N-dimethylnicotinamide
CAS:	54864-83-4
Synonyms:	6-chloro-N,N-dimethylpyridine-3-carboxamide

Technical Data

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Patents

Computed Properties

IUPAC Name:	6-chloro-N,N-dimethylpyridine-3-carboxamide
Description:	6-Chloro-N,N-dimethylnicotinamide (CAS# 54864-83-4) is a useful research chemical.
Molecular Weight:	184.62
Molecular Formula:	C8H9ClN2O
Canonical SMILES:	CN(C)C(=O)C1=CN=C(C=C1)Cl
InChI:	InChI=1S/C8H9ClN2O/c1-11(2)8(12)6-3-4-7(9)10-5-6/h3-5H,1-2H3
InChI Key:	BPMBBXCPGAFTCX-UHFFFAOYSA-N
Boiling Point:	330.9 °C at 760 mmHg
Purity:	95 %
Density:	1.231 g/cm³
LogP:	1.43680

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Related Functional Groups

Pyridines

[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[76167-49-2]C11H10N2O
2-(Pyridin-3-yloxy)aniline
[871507-15-2]C23H18N2O2
2-(Pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethan-1-one
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride
[144584-32-7]C5H2BrCl2N
3-Bromo-2,4-dichloropyridine

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

Publication Number	Title	Priority Date
US-2021038607-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
AU-2018388404-A1	Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
WO-2019126731-A1	Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
CN-112020500-A	Aminopyridine derivatives as inhibitors of phosphatidylinositol phosphokinase	20171222
EP-3728228-A1	Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0403406
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.0403406
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3