Molecule structure of 3-(1H-Imidazol-4-yl)pyridine (CAS NO.51746-85-1):
IUPAC Name: 3-(1H-Imidazol-5-yl)pyridine
Molecular Weight: 145.16128 g/mol
Molecular Formula: C8H7N3
Density: 1.214 g/cm3
Melting Point: 117-118 °C
Boiling Point: 422.4 °C at 760 mmHg
Flash Point: 214.5 °C
Index of Refraction: 1.61
Molar Refractivity: 41.46 cm3
Molar Volume: 119.4 cm3
Surface Tension: 57.1 dyne/cm
Enthalpy of Vaporization: 65.04 kJ/mol
Vapour Pressure: 5.94E-07 mmHg at 25 °C
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 145.063997
MonoIsotopic Mass: 145.063997
Topological Polar Surface Area: 41.6
Heavy Atom Count: 11
Canonical SMILES: C1=CC(=CN=C1)C2=CN=CN2
InChI: InChI=1S/C8H7N3/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H,(H,10,11)
InChIKey: YFOKBFRTGLSZLU-UHFFFAOYSA-N
Product Categories: Heterocycles; Miscellaneous Reagents
3-(1H-Imidazol-4-yl)pyridine (CAS NO.51746-85-1) is imidazole rings found in numberous natural compounds such as enzymes, nucleic acid, and alkaloids that play a role in biological processes.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 250mg/kg (250mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 260, 1939. |
3-(1H-Imidazol-4-yl)pyridine (CAS NO.51746-85-1) is also named as 4-(3-Pyridyl)imidazole ; 4-26-00-00176 (Beilstein Handbook Reference) ; 5(4)-3'-Pyridyl-glyoxaline ; BRN 0003724 ; Pyridine, 3-(1H-imidazol-4-yl)- . 3-(1H-Imidazol-4-yl)pyridine (CAS NO.51746-85-1) is light yellow solid.
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