4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid

C9H9NO5 — CID 22019195

IUPAC4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid
SMILESCOC(=O)c1cncc(C(=O)O)c1OC
InChIInChI=1S/C9H9NO5/c1-14-7-5(8(11)12)3-10-4-6(7)9(13)15-2/h3-4H,1-2H3,(H,11,12)
InChIKeyXYHPWIXNQZVVOO-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.57
Rot. Bonds3

About 4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid

4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid (PubChem CID 22019195) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid
PubChem CID22019195
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid
SMILESCOC(=O)c1cncc(C(=O)O)c1OC
InChIInChI=1S/C9H9NO5/c1-14-7-5(8(11)12)3-10-4-6(7)9(13)15-2/h3-4H,1-2H3,(H,11,12)
InChIKeyXYHPWIXNQZVVOO-UHFFFAOYSA-N
XLogP0.57
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethoxypyridine-3-carboxylic acid
CID 54199038
5-cyano-2-methoxy-3-methoxycarbonylbenzoic acid
CID 117100473
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
5-methoxypyridine-3,4-dicarboxylic acid
CID 15257827
methyl 5-hydroxy-4-methylpyridine-3-carboxylate
CID 130115769
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
ethyl 4-methoxy-5-methylpyridine-3-carboxylate
CID 133096766
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl 5-methyl-4-phenylpyridine-3-carboxylate
CID 10878891
4-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 126970622
methyl 4-methylsulfanylpyrimidine-5-carboxylate
CID 130484620

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid?
The IUPAC name of 4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid (CID 22019195) is 4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid?
The canonical SMILES for 4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid is COC(=O)c1cncc(C(=O)O)c1OC.
What is the InChIKey of 4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid?
The InChIKey is XYHPWIXNQZVVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-14-7-5(8(11)12)3-10-4-6(7)9(13)15-2/h3-4H,1-2H3,(H,11,12).
What are the key properties of 4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid?
4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid has a molecular weight of 211.17 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid is sourced from PubChem (CID 22019195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).