CAS No.13801-51-9,4-HYDROXY-[1,5]NAPHTHYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13801-51-9
Name:	4-HYDROXY-[1,5]NAPHTHYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Article Data:	6

Formula:	C₁₁H₁₀N₂O₃
Molecular Weight:	218.212
Synonyms:	Ethyl 4-hydroxy-[1,5]naphthyridine-3-carboxylate;4-Hydroxy-[1,5]naphthyridine-3-carboxylic acid ethyl ester;
Density:	1.303 g/cm³
Melting Point:	268 °C (decomp)
Boiling Point:	368.9 °C at 760 mmHg
Flash Point:	176.9 °C
PSA:	72.31000
LogP:	1.51210

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Specification

The systematic name of Ethyl 4-hydroxy-[1,5]naphthyridine-3-carboxylate is ethyl 4-oxo-1,4-dihydro-1,5-naphthyridine-3-carboxylate. With the CAS registry number 13801-51-9, it is also named as 4-Hydroxy-[1,5]naphthyridine-3-carboxylic acid ethyl ester. The product's categories are Acids and Derivatives; Heterocycles. In addition, its molecular formula is C₁₁H₁₀N₂O₃ and its molecular weight is 218.21.

The other characteristics of Ethyl 4-hydroxy-[1,5]naphthyridine-3-carboxylate can be summarized as: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.9; (6)ACD/BCF (pH 7.4): 3.9; (7)ACD/KOC (pH 5.5): 92.26; (8)ACD/KOC (pH 7.4): 92.26; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 59.5 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 55.18 cm³; (15)Molar Volume: 167.4 cm³; (16)Polarizability: 21.87×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.303 g/cm³; (19)Flash Point: 176.9 °C; (20)Enthalpy of Vaporization: 61.57 kJ/mol; (21)Boiling Point: 368.9 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C\2c1ncccc1N/C=C/2C(=O)OCC
(2)InChI: InChI=1/C11H10N2O3/c1-2-16-11(15)7-6-13-8-4-3-5-12-9(8)10(7)14/h3-6H,2H2,1H3,(H,13,14)
(3)InChIKey: GVNBUTFPNJRLQV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H10N2O3/c1-2-16-11(15)7-6-13-8-4-3-5-12-9(8)10(7)14/h3-6H,2H2,1H3,(H,13,14)
(5)Std. InChIKey: GVNBUTFPNJRLQV-UHFFFAOYSA-N