6-methoxy-4-methylpyridine-2,5-dicarboxylic acid

C9H9NO5 — CID 91509956

IUPAC6-methoxy-4-methylpyridine-2,5-dicarboxylic acid
SMILESCOc1nc(C(=O)O)cc(C)c1C(=O)O
InChIInChI=1S/C9H9NO5/c1-4-3-5(8(11)12)10-7(15-2)6(4)9(13)14/h3H,1-2H3,(H,11,12)(H,13,14)
InChIKeyAJIHCLYPJNUFBE-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.80
Rot. Bonds3

About 6-methoxy-4-methylpyridine-2,5-dicarboxylic acid

6-methoxy-4-methylpyridine-2,5-dicarboxylic acid (PubChem CID 91509956) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 6-methoxy-4-methylpyridine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name6-methoxy-4-methylpyridine-2,5-dicarboxylic acid
PubChem CID91509956
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name6-methoxy-4-methylpyridine-2,5-dicarboxylic acid
SMILESCOc1nc(C(=O)O)cc(C)c1C(=O)O
InChIInChI=1S/C9H9NO5/c1-4-3-5(8(11)12)10-7(15-2)6(4)9(13)14/h3H,1-2H3,(H,11,12)(H,13,14)
InChIKeyAJIHCLYPJNUFBE-UHFFFAOYSA-N
XLogP0.80
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid
CID 130087971
6-methoxy-2,4-dimethylpyridine-3-carboxylic acid
CID 3446565
2-(2-methoxyphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678753
2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 82389554
4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylic acid
CID 118818405
4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
CID 118828805
1,5-dimethoxyisoquinoline-3-carboxylic acid
CID 57440903
6-amino-4-chloro-2-methoxypyridine-3-carboxylic acid
CID 70318637
6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid
CID 172832533
4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
CID 118806000
5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid
CID 23233931
6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid
CID 107579495

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methylpyridine-2,5-dicarboxylic acid?
The IUPAC name of 6-methoxy-4-methylpyridine-2,5-dicarboxylic acid (CID 91509956) is 6-methoxy-4-methylpyridine-2,5-dicarboxylic acid.
What is the SMILES notation for 6-methoxy-4-methylpyridine-2,5-dicarboxylic acid?
The canonical SMILES for 6-methoxy-4-methylpyridine-2,5-dicarboxylic acid is COc1nc(C(=O)O)cc(C)c1C(=O)O.
What is the InChIKey of 6-methoxy-4-methylpyridine-2,5-dicarboxylic acid?
The InChIKey is AJIHCLYPJNUFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-4-3-5(8(11)12)10-7(15-2)6(4)9(13)14/h3H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 6-methoxy-4-methylpyridine-2,5-dicarboxylic acid?
6-methoxy-4-methylpyridine-2,5-dicarboxylic acid has a molecular weight of 211.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methylpyridine-2,5-dicarboxylic acid is sourced from PubChem (CID 91509956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).