2-Chloro-3-methylpyridine - CAS 18368-76-8

Catalog:	BB014087
Product Name:	2-Chloro-3-methylpyridine
CAS:	18368-76-8
Synonyms:	2-chloro-3-methylpyridine

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Computed Properties

IUPAC Name:	2-chloro-3-methylpyridine
Description:	2-Chloro-3-methylpyridine (CAS# 18368-76-8) is an active ingredient and a major constituent of imidaclopide, a systemic insecticide that acts as insect neurotoxin and belongs to a class of chemical called the neonicotinoids.
Molecular Weight:	127.57
Molecular Formula:	C6H6ClN
Canonical SMILES:	CC1=C(N=CC=C1)Cl
InChI:	InChI=1S/C6H6ClN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
InChI Key:	RKVUCIFREKHYTL-UHFFFAOYSA-N
Boiling Point:	192-193 ℃
Purity:	> 97.0 % (GC)
Density:	1.17 g/cm³
Appearance:	Colorless to light yellow liquid
MDL:	MFCD00234177
LogP:	2.04340

Publication Number	Title	Priority Date
WO-2021097039-A1	Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof	20191115
WO-2021032033-A1	Pyridazinol compound, derivative thereof, preparation method therefor, herbicidal composition and use thereof	20190816
EP-3772513-A1	Shp2 inhibitors	20190809
WO-2021028362-A1	Shp2 inhibitors	20190809
WO-2021013910-A1	Picolinamide derivatives useful as agricultural fungicides	20190724

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GHS Hazard Statement:	H302 (13.04%): 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

Complexity:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.0188769
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.0188769
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2