3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid

C11H13NO5 — CID 22923898

IUPAC3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid
SMILESCCCOC(=O)c1cnc(C(=O)O)c(OC)c1
InChIInChI=1S/C11H13NO5/c1-3-4-17-11(15)7-5-8(16-2)9(10(13)14)12-6-7/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyUKVBHVHEZZJOEF-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.36
Rot. Bonds5

About 3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid

3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid (PubChem CID 22923898) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid
PubChem CID22923898
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid
SMILESCCCOC(=O)c1cnc(C(=O)O)c(OC)c1
InChIInChI=1S/C11H13NO5/c1-3-4-17-11(15)7-5-8(16-2)9(10(13)14)12-6-7/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyUKVBHVHEZZJOEF-UHFFFAOYSA-N
XLogP1.36
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
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
heptyl 5-methoxy-6-[(2-octoxy-2-oxoethyl)carbamoyl]pyridine-3-carboxylate
CID 54061155
propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
dipropyl 5-methoxybenzene-1,3-dicarboxylate
CID 20702798
propyl 5-hydroxypyridine-3-carboxylate
CID 63851362
propyl 3,4-dihydroxy-5-propoxybenzoate
CID 123862467
propyl 3,4-dimethoxy-5-sulfamoylbenzoate
CID 65382015
3-butoxycarbonyl-5-formylpyridine-2-carboxylic acid
CID 91020914

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid (CID 22923898) is 3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid is CCCOC(=O)c1cnc(C(=O)O)c(OC)c1.
What is the InChIKey of 3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid?
The InChIKey is UKVBHVHEZZJOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-3-4-17-11(15)7-5-8(16-2)9(10(13)14)12-6-7/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid?
3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid is sourced from PubChem (CID 22923898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).