5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid

C10H11NO5 — CID 22923766

IUPAC5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
SMILESCCOC(=O)c1cnc(C(=O)O)c(OC)c1
InChIInChI=1S/C10H11NO5/c1-3-16-10(14)6-4-7(15-2)8(9(12)13)11-5-6/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyJJTMQWKQCZUAML-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.97
Rot. Bonds4

About 5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid

5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid (PubChem CID 22923766) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
PubChem CID22923766
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
SMILESCCOC(=O)c1cnc(C(=O)O)c(OC)c1
InChIInChI=1S/C10H11NO5/c1-3-16-10(14)6-4-7(15-2)8(9(12)13)11-5-6/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyJJTMQWKQCZUAML-UHFFFAOYSA-N
XLogP0.97
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid
CID 22923898
5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid
CID 22923831
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid
CID 67716166
5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923812
5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923875
ethyl 8-methoxy-1,5-naphthyridine-3-carboxylate
CID 59256763
5-ethoxycarbonyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine-3-carboxylic acid
CID 75397612
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
CID 129247905
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethanol;ethyl 4-hydroxy-3-methoxybenzoate;4-hydroxy-3-methoxybenzoic acid
CID 162180996
6-ethoxycarbonyl-5-ethylsulfanylpyridine-3-carboxylic acid
CID 122462154

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid (CID 22923766) is 5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid is CCOC(=O)c1cnc(C(=O)O)c(OC)c1.
What is the InChIKey of 5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid?
The InChIKey is JJTMQWKQCZUAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-3-16-10(14)6-4-7(15-2)8(9(12)13)11-5-6/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid?
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 22923766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).