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Methyl 6-broMo-3-hydroxypicolinate structure

Methyl 6-broMo-3-hydroxypicolinate
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1. Names and Identifiers
1.1 Name
Methyl 6-broMo-3-hydroxypicolinate
1.2 Synonyms
6-Bromo-3-hydroxy-pyridine-2-carboxylic acid methyl ester; methyl 6-bromo-3-hydroxypyridine-2-carboxylate;
1.3 CAS No.
321601-48-3
1.4 CID
22175135
1.5 EINECS
200-589-5
1.6 Molecular Formula
C7H6BrNO3
1.7 Inchi
InChI=1S/C7H6BrNO3/c1-12-7(11)6-4(10)2-3-5(8)9-6/h2-3,10H,1H3
1.8 InChkey
UGFPNFKMYRHGBG-UHFFFAOYSA-N
1.9 Canonical Smiles
COC(=O)C1=C(C=CC(=N1)Br)O
1.10 Isomers Smiles
COC(=O)C1=C(C=CC(=N1)Br)O
2. Properties
2.1 pKa
3.49±0.10(Predicted)
3. Synthesis Route
321601-48-3Total: 2 Synthesis Route
 
874-24-8
874-24-8 116 Suppliers
 
321601-48-3
321601-48-3 3 Suppliers
 
62733-99-7
62733-99-7 52 Suppliers
 
321601-48-3
321601-48-3 3 Suppliers
4. Precursor and Product
precursor:
874-24-8
874-24-8
62733-99-7
62733-99-7
product:
945954-94-9
945954-94-9
5. Computed Properties
  • Molecular Weight：232.03144g/mol
  • Molecular Formula：C7H6BrNO3
  • Compound Is Canonicalized：True
  • Exact Mass：2.3
  • XLogP3-AA：230.95311
  • Monoisotopic Mass：230.95311
  • Complexity：176
  • Rotatable Bond Count：2
  • Hydrogen Bond Donor Count：1
  • Hydrogen Bond Acceptor Count：4
  • Topological Polar Surface Area：59.4
  • Heavy Atom Count：：12
  • Defined Atom Stereocenter Count：0
  • Undefined Atom Stereocenter Count：0
  • Defined Bond Stereocenter Count：0
  • Undefined Bond Stereocenter Count：0
  • Isotope Atom Count：0
  • Covalently-Bonded Unit Count：1
  • CACTVS Substructure Key Fingerprint：AAADcYBiMAAAEAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgBACAABOAyBlgIyjpIIFgCoASTyTASCgCAnYiQImCG3bPgKJ/bStLuFcUhl4BHY+xe4SAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 3 Suppliers View more
Methyl6-bromo-3-hydroxypicolinate
Atomax Chemicals Co.,Ltd
  China
Tel: Update Time:2019/07/29
inquire
METHYL 6-BROMO-3-HYDROXYPICOLINATE
Antimex Chemical Limied
China
Tel: Update Time:2019/02/24
inquire
2-Pyridinecarboxylic acid, 6-bromo-3-hydroxy-, methyl ester
Jinan Trio PharmaTech Co., Ltd
China
Tel: Update Time:2019/02/23
inquire
7. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Synthesis Route
4. Precursor and Product
5. Computational chemical data
6. Toltal 3 Suppliers
7. Realated Product Infomation
 
 
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