3,5-Dichloro-4-methylpyridine - CAS 100868-46-0

Catalog:	BB000373
Product Name:	3,5-Dichloro-4-methylpyridine
CAS:	100868-46-0
Synonyms:	3,5-dichloro-4-methylpyridine; 3,5-dichloro-4-methylpyridine

Technical Data

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Computed Properties

IUPAC Name:	3,5-dichloro-4-methylpyridine
Description:	3,5-Dichloro-4-methylpyridine (CAS# 100868-46-0) is a useful research chemical.
Molecular Weight:	162.02
Molecular Formula:	C6H5Cl2N
Canonical SMILES:	CC1=C(C=NC=C1Cl)Cl
InChI:	InChI=1S/C6H5Cl2N/c1-4-5(7)2-9-3-6(4)8/h2-3H,1H3
InChI Key:	YBHYECGRNFZJPC-UHFFFAOYSA-N
Boiling Point:	203.6 °C at 760 mmHg
Density:	1.319 g/cm³
Appearance:	Solid
LogP:	2.69680

Publication Number	Title	Priority Date
WO-2021008607-A1	Substituted 1,2,4-triazolo[4,3-a]pyridine derivative and preparation method, herbicidal composition and application thereof	20190718
WO-2021001286-A1	A substituted tetrahydroisoquinoline derivative as a d1 positive allosteric modulator	20190701
WO-2020123670-A1	Small molecule inhibitors of the androgen receptor activity and/or expression and uses thereof	20181211
WO-2020063760-A1	Novel heterocyclic derivatives useful as shp2 inhibitors	20180926
WO-2019243533-A1	Oga inhibitor compounds	20180621

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Related Functional Groups

Pyridines

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[4926-28-7]
2-Bromo-4-methylpyridine
[1198098-45-1]
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[76006-14-9]
3-Chloro-1H-pyrazolo[3,4-c]pyridine

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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

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:	2.5