5-Methanesulfonylpyridine-2-carbonitrile - CAS 848141-13-9

Catalog:	BB060222
Product Name:	5-Methanesulfonylpyridine-2-carbonitrile
CAS:	848141-13-9
Synonyms:	5-(Methylsulfonyl)picolinonitrile; 5-Methanesulfonylpyridine-2-carbonitrile; 5-methylsulfonylpyridine-2-carbonitrile; 5-(Methylsulfonyl)pyridine-2-carbonitrile; 2-Pyridinecarbonitrile, 5-(methylsulfonyl)-; 5-methanesulfonyl-pyridine-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-methylsulfonylpyridine-2-carbonitrile
Description:	5-Methanesulfonylpyridine-2-carbonitrile
Molecular Weight:	182.2
Molecular Formula:	C7H6N2O2S
Canonical SMILES:	CS(=O)(=O)C1=CN=C(C=C1)C#N
InChI:	InChI=1S/C7H6N2O2S/c1-12(10,11)7-3-2-6(4-8)9-5-7/h2-3,5H,1H3
InChI Key:	WGTUUPXIIZIOLR-UHFFFAOYSA-N

Publication Number	Title	Priority Date
JP-2020059651-A	Pyrazole derivative and medicament containing the same	20161226
WO-2018123918-A1	Pyrazole derivative and drug containing same	20161226
WO-2018030550-A1	Heterocyclic compounds with an ror(gamma)t modulating activity	20160809
US-2021171527-A1	Compounds as modulators of ror gamma	20160120
EP-3356366-B1	Pteridine derivatives as modulators of ror gamma	20151001
US-10450314-B2	Pteridine derivatives as modulators of ROR gamma	20151001
EP-3131902-B1	Compounds as modulators of ror gamma	20140414
US-2015291607-A1	Compounds as modulators of ror gamma	20140414
US-2016075706-A1	Compounds as modulators of ror gamma	20140414
US-2017008894-A1	Compounds as modulators of ror gamma	20140414

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	295
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.01499861
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.01499861
Rotatable Bond Count:	1
Topological Polar Surface Area:	79.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1