Cas no 797788-36-4 (5-bromo-8-methoxy-1,6-Naphthyridine-7-carboxylic acid)
797788-36-4 structure
Product Name:5-bromo-8-methoxy-1,6-Naphthyridine-7-carboxylic acid
CAS No:797788-36-4
MF:C10H7BrN2O3
MW:283.078181505203
CID:2114930
Update Time:2023-11-18
5-bromo-8-methoxy-1,6-Naphthyridine-7-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 5-bromo-8-methoxy-1,6-Naphthyridine-7-carboxylic acid
- NMJSECDAYKQFDD-UHFFFAOYSA-N
- 5-bromo-8-methoxy[1,6]naphthyridine-7-carboxylic acid
- CID 86613120
- 1,6-Naphthyridine-7-carboxylic acid, 5-bromo-8-methoxy-
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- Inchi: 1S/C10H7BrN2O3/c1-16-8-6-5(3-2-4-12-6)9(11)13-7(8)10(14)15/h2-4H,1H3,(H,14,15)
- InChI Key: NMJSECDAYKQFDD-UHFFFAOYSA-N
- SMILES: BrC1C2=CC=CN=C2C(=C(C(=O)O)N=1)OC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 277
- Topological Polar Surface Area: 72.3
Experimental Properties
- Density: 1.739±0.06 g/cm3(Predicted)
- Boiling Point: 454.6±45.0 °C(Predicted)
- pka: 2.48±0.30(Predicted)
5-bromo-8-methoxy-1,6-Naphthyridine-7-carboxylic acid Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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