2-Chloro-4-methylpyridine - CAS 3678-62-4

Name: 2-Chloro-4-methylpyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-chloro-4-methylpyridine
Description:	2-Chloro-4-methylpyridine (CAS# 3678-62-4) is used as a reagent in the synthesis of the mGLUR5 modulators imidazolyl-ethynyl-pyridines as potential antipsychotics. It is also used in the preparation of trifluoromethyl(pyrimidinyl)azetidinecarboxamides as potent, orally bioavailable TGR5 agonists.
Molecular Weight:	127.57
Molecular Formula:	C6H6ClN
Canonical SMILES:	CC1=CC(=NC=C1)Cl
InChI:	InChI=1S/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChI Key:	MZVSTDHRRYQFGI-UHFFFAOYSA-N
Boiling Point:	194-195 °C
Purity:	97.0 %
Density:	1.456 g/cm³
MDL:	MFCD00023418
LogP:	2.04340

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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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:	1.9