5-methoxypyridine-3,4-dicarboxylic acid

C8H7NO5 — CID 15257827

IUPAC5-methoxypyridine-3,4-dicarboxylic acid
SMILESCOc1cncc(C(=O)O)c1C(=O)O
InChIInChI=1S/C8H7NO5/c1-14-5-3-9-2-4(7(10)11)6(5)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyOOXKBAMSXVLLRQ-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.49
Rot. Bonds3

About 5-methoxypyridine-3,4-dicarboxylic acid

5-methoxypyridine-3,4-dicarboxylic acid (PubChem CID 15257827) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 5-methoxypyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name5-methoxypyridine-3,4-dicarboxylic acid
PubChem CID15257827
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name5-methoxypyridine-3,4-dicarboxylic acid
SMILESCOc1cncc(C(=O)O)c1C(=O)O
InChIInChI=1S/C8H7NO5/c1-14-5-3-9-2-4(7(10)11)6(5)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyOOXKBAMSXVLLRQ-UHFFFAOYSA-N
XLogP0.49
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethoxypyridine-3-carboxylic acid
CID 54199038
3,5-dimethoxypyridine-4-carboxamide
CID 69277472
3-(2-fluorophenyl)-5-methoxypyridine-4-carboxylic acid
CID 46314063
3-methoxy-5-methylphthalic acid
CID 12908895
4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid
CID 22019195
4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212644
ethyl 3-methoxy-5-methylpyridine-4-carboxylate
CID 171030458
4,6-dimethoxypyridine-3-carboxylic acid
CID 69266328
2-carboxy-4,5-dimethoxyphenolate
CID 86306376
5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid
CID 175285325
4-(3-methoxy-6-methyl-2-pyridinyl)pyridine-3-carboxylic acid
CID 175489276
6-carbamoyl-2,3-dimethoxybenzoic acid
CID 90976735

Frequently Asked Questions

What is the IUPAC name of 5-methoxypyridine-3,4-dicarboxylic acid?
The IUPAC name of 5-methoxypyridine-3,4-dicarboxylic acid (CID 15257827) is 5-methoxypyridine-3,4-dicarboxylic acid.
What is the SMILES notation for 5-methoxypyridine-3,4-dicarboxylic acid?
The canonical SMILES for 5-methoxypyridine-3,4-dicarboxylic acid is COc1cncc(C(=O)O)c1C(=O)O.
What is the InChIKey of 5-methoxypyridine-3,4-dicarboxylic acid?
The InChIKey is OOXKBAMSXVLLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c1-14-5-3-9-2-4(7(10)11)6(5)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-methoxypyridine-3,4-dicarboxylic acid?
5-methoxypyridine-3,4-dicarboxylic acid has a molecular weight of 197.15 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 15257827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).