2-(2-Imidazolyl)pyridine - CAS 18653-75-3

Catalog:	BB014335
Product Name:	2-(2-Imidazolyl)pyridine
CAS:	18653-75-3
Synonyms:	2-(1H-imidazol-2-yl)pyridine; 2-(1H-imidazol-2-yl)pyridine

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Computed Properties

IUPAC Name:	2-(1H-imidazol-2-yl)pyridine
Description:	2-(2-Imidazolyl)pyridine (CAS# 18653-75-3) is a useful reagent in substitution reaction with bromobenzene.
Molecular Weight:	145.16
Molecular Formula:	C8H7N3
Canonical SMILES:	C1=CC=NC(=C1)C2=NC=CN2
InChI:	InChI=1S/C8H7N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-6H,(H,10,11)
InChI Key:	SZXUTTGMFUSMCE-UHFFFAOYSA-N
Boiling Point:	382.8 °C at 760 mmHg
Purity:	97 %
Density:	1.214 g/cm³
Appearance:	Solid
MDL:	MFCD05863221
LogP:	1.47170

Publication Number	Title	Priority Date
CN-111269215-A	Nitrogen-containing heterocyclic organic compound and preparation method and application thereof	20200401
WO-2021183970-A1	Non-atp/catalytic site p38 mitogen activated protein kinase inhibitors	20200313
WO-2021174024-A1	Methods of treating iatrogenic autoimmune colitis	20200228
US-2021190718-A1	Analyte Sensors and Sensing Methods Featuring Low-Potential Detection	20191223
US-2021190719-A1	Analyte sensors and sensing methods featuring low-potential detection	20191223

PMID	Publication Date	Title	Journal
22830492	20120827	Pharmacophore fingerprint-based approach to binding site subpocket similarity and its application to bioisostere replacement	Journal of chemical information and modeling
22289927	20120321	Cytotoxic gold compounds: synthesis, biological characterization and investigation of their inhibition properties of the zinc finger protein PARP-1	Dalton transactions (Cambridge, England : 2003)
22239221	20120223	Rational approaches to improving selectivity in drug design	Journal of medicinal chemistry
22403546	20120101	Annexin A1 N-terminal derived Peptide ac2-26 exerts chemokinetic effects on human neutrophils	Frontiers in pharmacology
22427932	20120101	Inhibition of melanogenesis by the pyridinyl imidazole class of compounds: possible involvement of the Wnt/β-catenin signaling pathway	PloS one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.063997236
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.063997236
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7