2-(4-Imidazolyl)pyridine - CAS 16576-78-6

Catalog:	BB012216
Product Name:	2-(4-Imidazolyl)pyridine
CAS:	16576-78-6
Synonyms:	2-(1H-imidazol-5-yl)pyridine; 2-(1H-imidazol-5-yl)pyridine

Technical Data

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Computed Properties

IUPAC Name:	2-(1H-imidazol-5-yl)pyridine
Description:	2-(4-Imidazolyl)pyridine (CAS# 16576-78-6) is a useful research chemical.
Molecular Weight:	145.16
Molecular Formula:	C8H7N3
Canonical SMILES:	C1=CC=NC(=C1)C2=CN=CN2
InChI:	InChI=1S/C8H7N3/c1-2-4-10-7(3-1)8-5-9-6-11-8/h1-6H,(H,9,11)
InChI Key:	AHHQCRZKQHDXIY-UHFFFAOYSA-N
LogP:	1.47170

Publication Number	Title	Priority Date
CN-111704647-A	Triterpenoid derivatives and application thereof as programmed cell necrosis inhibitor	20200615
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2020259463-A1	CASEIN KINASE 1Îµ INHIBITOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF	20190627
US-2020190045-A1	Ferroportin inhibitors and methods of use	20181213
WO-2020123850-A1	Ferroportin inhibitors and methods of use	20181213

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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:	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