2-Chloro-4-iodo-3-pyridinecarbonitrile - CAS 1171919-75-7

Catalog:	BB003867
Product Name:	2-Chloro-4-iodo-3-pyridinecarbonitrile
CAS:	1171919-75-7
Synonyms:	2-chloro-4-iodopyridine-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-iodopyridine-3-carbonitrile
Description:	2-Chloro-4-iodo-3-pyridinecarbonitrile (CAS# 1171919-75-7) is a useful research chemical.
Molecular Weight:	264.45
Molecular Formula:	C6H2ClIN2
Canonical SMILES:	C1=CN=C(C(=C1I)C#N)Cl
InChI:	InChI=1S/C6H2ClIN2/c7-6-4(3-9)5(8)1-2-10-6/h1-2H
InChI Key:	BQFOSZGLMPGGLY-UHFFFAOYSA-N
MDL:	MFCD12401632
LogP:	2.21128

Publication Number	Title	Priority Date
WO-2018103058-A1	Inhibitors of bruton's tyrosine kinase and methods of their use	20161209
WO-2018103060-A1	Inhibitors of bruton's tyrosine kinase and methods of their use	20161209
EP-3452476-A1	Heterocyclic compounds as immunomodulators	20160506
US-2017320875-A1	Heterocyclic compounds as immunomodulators	20160506
US-2019071439-A1	Heterocyclic compounds as immunomodulators	20160506

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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
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.89512
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	263.89512
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2