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Methyl 7-bromo-1,5-naphthyridine-3-carboxylate

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Name

Methyl 7-bromo-1,5-naphthyridine-3-carboxylate

EINECS N/A
CAS No. 958334-24-2 Density 1.627 g/cm3
PSA 52.08000 LogP 2.17890
Solubility N/A Melting Point N/A
Formula C10H7BrN2O2 Boiling Point 342.3 °C at 760 mmHg
Molecular Weight 267.082 Flash Point 160.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 958334-24-2 (methyl 7-bromo-1,5-naphthyridine-3-carboxylate) Hazard Symbols N/A
Synonyms

ethyl 7-bromo-1,5-naphthyridine-3-carboxylate;

 

Methyl 7-bromo-1,5-naphthyridine-3-carboxylate Specification

The 1,5-Naphthyridine-3-carboxylicacid, 7-bromo-, methyl ester is an organic compound that the formula C10H7BrN2O2. With the CAS registry number 958334-24-2, the systematic name of this chemical is methyl 7-bromo-1,5-naphthyridine-3-carboxylate. The product's category is Chiral Chemicals.

The other characteristics of 1,5-Naphthyridine-3-carboxylicacid, 7-bromo-, methyl ester can be summarized as: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69 ; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 52.08 Å2; (9)Index of Refraction: 1.648; (10)Molar Refractivity: 59.74 cm3; (11)Molar Volume: 164 cm3; (12)Polarizability: 23.68×10-24 cm3; (13)Surface Tension: 59 dyne/cm; (14)Density: 1.627 g/cm3; (15)Flash Point: 160.8 °C; (16)Enthalpy of Vaporization: 58.61 kJ/mol; (17)Boiling Point: 342.3 °C at 760 mmHg; (18)Vapour Pressure: 7.58E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:COC(=O)c1cc2c(cc(cn2)Br)nc1
2. InChI:InChI=1/C10H7BrN2O2/c1-15-10(14)6-2-8-9(12-4-6)3-7(11)5-13-8/h2-5H,1H3
3. InChIKey:HSKHAOKCHBJDBO-UHFFFAOYAE
4. Std. InChI:InChI=1S/C10H7BrN2O2/c1-15-10(14)6-2-8-9(12-4-6)3-7(11)5-13-8/h2-5H,1H3
5. Std. InChIKey:HSKHAOKCHBJDBO-UHFFFAOYSA-N

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