5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid

C10H11NO4 — CID 176920520

IUPAC5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid
SMILESCCc1ccc(C(=O)O)nc1C(=O)OC
InChIInChI=1S/C10H11NO4/c1-3-6-4-5-7(9(12)13)11-8(6)10(14)15-2/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeySFEMNVMVZXKISI-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.13
Rot. Bonds3

About 5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid

5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid (PubChem CID 176920520) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid
PubChem CID176920520
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid
SMILESCCc1ccc(C(=O)O)nc1C(=O)OC
InChIInChI=1S/C10H11NO4/c1-3-6-4-5-7(9(12)13)11-8(6)10(14)15-2/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeySFEMNVMVZXKISI-UHFFFAOYSA-N
XLogP1.13
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid?
The IUPAC name of 5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid (CID 176920520) is 5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid?
The canonical SMILES for 5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid is CCc1ccc(C(=O)O)nc1C(=O)OC.
What is the InChIKey of 5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid?
The InChIKey is SFEMNVMVZXKISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-3-6-4-5-7(9(12)13)11-8(6)10(14)15-2/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid?
5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid is sourced from PubChem (CID 176920520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).