Chemical Properties of Pyridine-2-carboxylic acid, 4-bromo-2-methoxybenzyl ester

Pyridine-2-carboxylic acid, 4-bromo-2-methoxybenzyl ester

InChI
InChI=1S/C14H12BrNO3/c1-18-13-8-11(15)6-5-10(13)9-19-14(17)12-4-2-3-7-16-12/h2-8H,9H2,1H3
InChI Key
MCDZJWILRSMOBL-UHFFFAOYSA-N
Formula
C14H12BrNO3
SMILES
COc1cc(Br)ccc1COC(=O)c1ccccn1
Molecular Weight1
322.15
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Physical Properties

Property Value Unit Source
ω 0.6895 Relay (1.0) Calculated Property
ΔfG° -81.97 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -239.97 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 100.84 kJ/mol Relay (1.0) Calculated Property
IE 8.38 eV Relay (1.0) Calculated Property
log10WS -4.14 Relay (1.0) Calculated Property
logPoct/wat 3.210 Crippen Calculated Property
McVol 201.390 ml/mol McGowan Calculated Property
Pc 2535.00 kPa Relay (1.0-beta) Calculated Property
Inp 2416.00 NIST
Tboil 644.90 K Relay (1.0) Calculated Property
Tc 901.91 K Relay (1.0) Calculated Property
Tfus 338.22 K Relay (1.0) Calculated Property
Vc 0.720 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2,6-Pyridinedicarboxylic acid, 4-bromo-2-methoxybenzyl ethyl ester. 2,6-Pyridinedicarboxylic acid, 4-bromo-2-methoxybenzyl pentyl ester. Beclomethasone, tetra-TMS. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Tazettine. Hydrocodone. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Cytidine, metho-oxime-TMS derivative. Hydromorphone. Acetyldihydrocodeine. Dihydromorphine. Cytidine, etho-oxime-TMS derivative.

Find more compounds similar to Pyridine-2-carboxylic acid, 4-bromo-2-methoxybenzyl ester.

Sources

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