2-Bromo-5-ethylpyridine - CAS 19842-08-1

Catalog:	BB015343
Product Name:	2-Bromo-5-ethylpyridine
CAS:	19842-08-1
Synonyms:	2-bromo-5-ethylpyridine; 2-bromo-5-ethylpyridine

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-ethylpyridine
Description:	2-Bromo-5-ethylpyridine (CAS# 19842-08-1) is a disubstituted pyridine used in the preparation of biologically active compounds such as potential prostacyclin receptor inhibitors.
Molecular Weight:	186.05
Molecular Formula:	C7H8BrN
Canonical SMILES:	CCC1=CN=C(C=C1)Br
InChI:	InChI=1S/C7H8BrN/c1-2-6-3-4-7(8)9-5-6/h3-5H,2H2,1H3
InChI Key:	MVXBQGHDMSEOGX-UHFFFAOYSA-N
MDL:	MFCD11869552
LogP:	2.40650

Publication Number	Title	Priority Date
WO-2020240586-A1	Novel compounds for inhibition of janus kinase 1	20190528
WO-2020125627-A1	Phenylpyrrolidine compound and use thereof	20181218
CN-111333626-A	Phenyl pyrrolidine compounds and uses thereof	20181218
EP-3901146-A1	Phenylpyrrolidine compound and use thereof	20181218
KR-20210093320-A	Phenylpyrrolidine-based compounds and uses thereof	20181218

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.98401
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.98401
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7