3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate

C21H21N3O9 — CID 162061282

IUPAC3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1OC.COc1cccnc1C(=O)O.O=C(O)c1ncccc1O
InChIInChI=1S/C8H9NO3.C7H7NO3.C6H5NO3/c1-11-6-4-3-5-9-7(6)8(10)12-2;1-11-5-3-2-4-8-6(5)7(9)10;8-4-2-1-3-7-5(4)6(9)10/h3-5H,1-2H3;2-4H,1H3,(H,9,10);1-3,8H,(H,9,10)
InChIKeyYZWLXYQURSHJEM-UHFFFAOYSA-N
MW459.41 g/mol
LogP2.15
Rot. Bonds5

About 3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate

3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate (PubChem CID 162061282) has the molecular formula C21H21N3O9 and a molecular weight of 459.41 g/mol. Its IUPAC name is 3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Name3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
PubChem CID162061282
Molecular FormulaC21H21N3O9
Molecular Weight459.41 g/mol
Exact Mass459.13
IUPAC Name3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1OC.COc1cccnc1C(=O)O.O=C(O)c1ncccc1O
InChIInChI=1S/C8H9NO3.C7H7NO3.C6H5NO3/c1-11-6-4-3-5-9-7(6)8(10)12-2;1-11-5-3-2-4-8-6(5)7(9)10;8-4-2-1-3-7-5(4)6(9)10/h3-5H,1-2H3;2-4H,1H3,(H,9,10);1-3,8H,(H,9,10)
InChIKeyYZWLXYQURSHJEM-UHFFFAOYSA-N
XLogP2.15
TPSA178.26 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

bromo 3-methoxypyridine-2-carboxylate
CID 71151009
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
potassium 3-methoxypyridine-2-carboxylate
CID 159434407
3-hydroxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 54860878
3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid
CID 156632330
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate
CID 90284883
(5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 139764301
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate?
The IUPAC name of 3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate (CID 162061282) is 3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate.
What is the SMILES notation for 3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate?
The canonical SMILES for 3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate is COC(=O)c1ncccc1OC.COc1cccnc1C(=O)O.O=C(O)c1ncccc1O.
What is the InChIKey of 3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate?
The InChIKey is YZWLXYQURSHJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C7H7NO3.C6H5NO3/c1-11-6-4-3-5-9-7(6)8(10)12-2;1-11-5-3-2-4-8-6(5)7(9)10;8-4-2-1-3-7-5(4)6(9)10/h3-5H,1-2H3;2-4H,1H3,(H,9,10);1-3,8H,(H,9,10).
What are the key properties of 3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate?
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate has a molecular weight of 459.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 162061282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).