CAS No.101512-21-4,3-Pyridinecarboxamide,5-hydroxy-(9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	101512-21-4
Name:	3-Pyridinecarboxamide,5-hydroxy-(9CI)
Article Data:	2

Formula:	C₆H₆N₂O₂
Molecular Weight:	138.126
Synonyms:	5-Hydroxynicotinamide;NSC 605536;SR 4364;
Density:	1.384 g/cm³
Melting Point:	222-224 °C
Boiling Point:	479.3 °C at 760 mmHg
Flash Point:	243.7 °C
PSA:	76.21000
LogP:	0.58640

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Specification

The 3-Pyridinecarboxamide,5-hydroxy-, with the CAS registry number 101512-21-4, is also called Pyridinium, 3-(aminocarbonyl)-5-hydroxy-, inner salt. Its molecular formula is C₆H₆N₂O₂and its classification code is Drug / Therapeutic Agent. Additionally, the IUPAC name of this chemical is 5-hydroxypyridine-3-carboxamide.

Other characteristics of the 3-Pyridinecarboxamide,5-hydroxy- can be summarised as followings: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.3; (7)ACD/KOC (pH 7.4): 16.17; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 42.43 Å²; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 35.15 cm³; (14)Molar Volume: 99.7 cm³; (15)Polarizability: 13.93×10^-24cm³; (16)Surface Tension: 72.1 dyne/cm; (17)Density: 1.384 g/cm³; (18)Flash Point: 243.7 °C; (19)Enthalpy of Vaporization: 77.19 kJ/mol; (20)Boiling Point: 479.3 °C at 760 mmHg; (21)Vapour Pressure: 8.24E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1cncc(O)c1)N
2.InChI: InChI=1/C6H6N2O2/c7-6(10)4-1-5(9)3-8-2-4/h1-3,9H,(H2,7,10)
3.InChIKey: UIJCDEKRKCCYIF-UHFFFAOYAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	unreported	800mg/kg (800mg/kg)		Pharmaceutical Chemistry Journal Vol. 20, Pg. 29, 1986.