2,6-Dichloro-4-methylpyridine - CAS 39621-00-6

Catalog:	BB024058
Product Name:	2,6-Dichloro-4-methylpyridine
CAS:	39621-00-6
Synonyms:	2,6-dichloro-4-methylpyridine; 2,6-dichloro-4-methylpyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,6-dichloro-4-methylpyridine
Description:	2,6-Dichloro-4-methylpyridine (CAS# 39621-00-6) is used in preparation of substituted phenoxymethyl benzoic acids and related products as modulators of Mas-related G-protein receptor X4.
Molecular Weight:	162.02
Molecular Formula:	C6H5Cl2N
Canonical SMILES:	CC1=CC(=NC(=C1)Cl)Cl
InChI:	InChI=1S/C6H5Cl2N/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3
InChI Key:	GTHRJKYVJZJPCF-UHFFFAOYSA-N
Boiling Point:	241.3 °C at 760 mmHg
Density:	1.319 g/cm³
Appearance:	Off-white solid
MDL:	MFCD09264302
LogP:	2.69680

Publication Number	Title	Priority Date
WO-2021211549-A1	Kif18a inhibitors for treatment of neoplastic diseases	20200414
US-2021198171-A1	Selective hydrodeoxygenation of aromatic compounds	20191230
WO-2021026101-A1	Kif18a inhibitors	20190802
WO-2021008607-A1	Substituted 1,2,4-triazolo[4,3-a]pyridine derivative and preparation method, herbicidal composition and application thereof	20190718
WO-2020263703-A1	Enhancement of nucleic acid polymerization by aromatic compounds	20190626

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Related Functional Groups

Pyridines

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[14993-80-7]
2-(6-Methylpyridin-2-yl)acetonitrile
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[153259-31-5]
2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride

GHS Hazard Statement:	H302 (50%): 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:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.9799046
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.9799046
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1