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2845-82-1

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Basic Information
CAS No.: 2845-82-1
Name: 5-(PYRIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE
Article Data: 21
Molecular Structure:
Molecular Structure of 2845-82-1 (5-(PYRIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE)
Formula: C7H5 N3 O2
Molecular Weight: 163.136
Synonyms: D2-1,3,4-Oxadiazolin-5-one,2-(4-pyridyl)- (6CI,7CI,8CI); 2-(4-Pyridyl)-1,3,4-oxadiazol-5-one;2-(4-Pyridyl)-D2-1,3,4-oxadiazolin-5-one;5-(4-Pyridyl)-1,3,4-oxadiazol-2-ol; NSC 225247; Neovadrine; S 57
Density: 1.53g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by subcutaneous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
PSA: 71.78000
LogP: 0.42490
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Chemistry

Molecular structure of 5-(4-Pyridyl)-1,3,4-oxadiazol-2-ol (CAS NO.2845-82-1) is:

Product Name: 5-(4-Pyridyl)-1,3,4-oxadiazol-2-ol
CAS Registry Number: 2845-82-1
IUPAC Name: 5-pyridin-4-yl-3H-1,3,4-oxadiazol-2-one
Molecular Weight: 163.1335 [g/mol]
Molecular Formula: C7H5N3O2
XLogP3-AA: 0.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Molar Volume: 106 cm3 
Surface Tension: 63.2 dyne/cm
Density: 1.53 g/cm3 
Classification Code: Drug / Therapeutic Agent

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 700mg/kg (700mg/kg) BEHAVIORAL: EUPHORIA Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 22, 1962.
guinea pig LD50 subcutaneous 750mg/kg (750mg/kg) BEHAVIORAL: EUPHORIA Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 22, 1962.
mouse LDLo oral 2gm/kg (2000mg/kg) BEHAVIORAL: EUPHORIA Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 22, 1962.
mouse LDLo subcutaneous 2500mg/kg (2500mg/kg) BEHAVIORAL: EUPHORIA Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 22, 1962.
rabbit LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: EUPHORIA Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 22, 1962.
rabbit LD50 subcutaneous 400mg/kg (400mg/kg) BEHAVIORAL: EUPHORIA Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 22, 1962.

Safety Profile

Poison by subcutaneous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.

Specification

 5-(4-Pyridyl)-1,3,4-oxadiazol-2-ol , its cas register number is 2845-82-1. It also can be called 2-Pyridyl-(4)-1,3,4-oxadiazolon-(5) ; 2-Pyridyl-(4)-1,3,4-oxadiazolon-(5) [German] ; 4-27-00-09358 (Beilstein Handbook Reference) ; BRN 0146642 ; NSC 225247 ; Neovadrine ; S 57 ; S 57 (VAN) ; 1,3,4-Oxadiazol-2(3H)-one, 5-(4-pyridinyl)- (9CI) ; 1,3,4-Oxadiazol-2-ol, 5-(4-pyridinyl)- ; delta2-1,3,4-Oxadiazolin-5-one, 2-(4-pyridyl)- (8CI) .