Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
ethyl 7-bromo-1,5-naphthyridine-3-carboxylate; |
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