2,4-Dichloro-3-cyanopyridine - CAS 180995-12-4

Catalog:	BB013779
Product Name:	2,4-Dichloro-3-cyanopyridine
CAS:	180995-12-4
Synonyms:	2,4-dichloro-3-pyridinecarbonitrile; 2,4-dichloropyridine-3-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,4-dichloropyridine-3-carbonitrile
Description:	2,4-Dichloro-3-cyanopyridine (CAS# 180995-12-4) is a useful research chemical.
Molecular Weight:	173.00
Molecular Formula:	C6H2Cl2N2
Canonical SMILES:	C1=CN=C(C(=C1Cl)C#N)Cl
InChI:	InChI=1S/C6H2Cl2N2/c7-5-1-2-10-6(8)4(5)3-9/h1-2H
InChI Key:	OQYZEFBWEXEOPL-UHFFFAOYSA-N
Boiling Point:	293 °C at 760 mmHg
Density:	1.49 g/cm³
MDL:	MFCD09750302
LogP:	2.26008

Publication Number	Title	Priority Date
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WO-2020237014-A1	3-amino-4-(4-(4 (dimethylcarbamoyl) phenyl)-1,4-diazepan-1-yl) thieno [2,3-b] pyridine-2-carboxamide for use in cancer therapy and formulations comprising the same	20190521

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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
[14993-80-7]
2-(6-Methylpyridin-2-yl)acetonitrile
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine

GHS Hazard Statement:	H302 (100%): 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:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.9595035
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.9595035
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2