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7428-22-0 | 5-Hydroxy-6-methylnicotinic acid
CAS No: 7428-22-0 Catalog No: AG005CI2 MDL No:MFCD18255186
Product Description
Catalog Number:
AG005CI2
Chemical Name:
5-Hydroxy-6-methylnicotinic acid
CAS Number:
7428-22-0
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD18255186
IUPAC Name:
5-hydroxy-6-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)
InChI Key:
NYEFWJFPBFRRKU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(c(c1)O)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Catalytic roles of active-site residues in 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase: an ONIOM/DFT study. | The journal of physical chemistry. B 20110303 |
| Hydroxylation and ring-opening mechanism of an unusual flavoprotein monooxygenase, 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase: a theoretical study. | Chemistry (Weinheim an der Bergstrasse, Germany) 20100222 |
| Structure of the PLP degradative enzyme 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase from Mesorhizobium loti MAFF303099 and its mechanistic implications. | Biochemistry 20090519 |
| Gene identification and structural characterization of the pyridoxal 5'-phosphate degradative protein 3-hydroxy-2-methylpyridine-4,5-dicarboxylate decarboxylase from mesorhizobium loti MAFF303099. | Biochemistry 20071127 |
| Use of 8-substituted-FAD analogues to investigate the hydroxylation mechanism of the flavoprotein 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase. | Biochemistry 20040406 |
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